Articles | Volume 37, issue 6
https://doi.org/10.5194/ejm-37-889-2025
© Author(s) 2025. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/ejm-37-889-2025
© Author(s) 2025. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Empirical electronic polarizabilities of iodine (I−) and bromine (Br−, Br7+) for the prediction of refractive indices
Shaghayegh Nezamabadi
CORRESPONDING AUTHOR
Fachbereich Geowissenschaften, Universität Bremen, Klagenfurter Straße 2, 28359 Bremen, Germany
Patrick A. Fuzon
Fachbereich Chemie, Philipps-Universität Marburg, Hans-Meerwein-Str. 4, 35032 Marburg, Germany
Florian Kraus
Fachbereich Chemie, Philipps-Universität Marburg, Hans-Meerwein-Str. 4, 35032 Marburg, Germany
Reinhard X. Fischer
CORRESPONDING AUTHOR
Fachbereich Geowissenschaften, Universität Bremen, Klagenfurter Straße 2, 28359 Bremen, Germany
Cited articles
Abrahams, S. C., Bernstein, J. L., and Svensson, C.: Orthorhombic phase of nickel bromine boracite Ni3B7O13Br: Room temperature ferroelectric-ferroelastic crystal structure, J. Chem. Phys., 75, 1912–1918, https://doi.org/10.1063/1.442216, 1981.
Ahtee, M.: Lattice constants of some binary alkali halide solid solutions, Ann. Acad. Sci. Fenn. A6: Physica., 313, 1–11, 1969.
Alekel III, T. and Keszler, D. A.: New strontium borate halides: Sr5(BO3)3X (X = F, Br), Inorg. Chem., 32, 101–105, https://doi.org/10.1021/ic00053a017, 1993.
Aleksandrova, M., Haeuseler, H., Jaquet, R., and Wagener, M.: Acidic salts of the decaoxodiperiodic acid: NiH4I2O10 ⋅ 6H2O, ZnH4I2O10 ⋅ 6H2O, and MgH4I2O10 ⋅ 6H2O; crystal structures, vibrational spectra, and thermal decomposition, Z. Naturforsch., B63, 1367–1376, https://doi.org/10.1515/znb-2008-1205, 2008.
Alexandrova, M. and Haeuseler, H.: Crystal structure, infrared and Raman spectra and thermal analysis of strontium-tetrahydrogen-hexaoxoperiodate-trihydrate, Sr(H4IO6)2 ⋅ 3H2O, J. Mol. Struct., 706, 7–13, https://doi.org/10.1016/j.molstruc.2003.12.069, 2004.
Anderson, O. L.: Optical properties of rock-forming minerals derived from atomic properties, Fortschr. Mineral., 52, 611–629, 1975.
Anderson, O. L. and Schreiber, E.: The relation between refractive index and density of minerals related to the Earth's mantle, J. Geophys. Res., 70, 1463–1471, https://doi.org/10.1029/JZ070i006p01463, 1965.
Appelman, E. H.: Perbromic acid and perbromates: synthesis and some properties, Inorg. Chem., 8, 223–227, https://pubs.acs.org/doi/10.1021/ic50072a008, 1969.
Armstrong, J. A. and Weller, M. T.: New sodalite frameworks; synthetic tugtupite and a beryllosilicate framework with a 3 : 1 Si : Be ratio, Dalton Transactions, 24, https://doi.org/10.1039/B600579A, 2006.
Ballard, S., Browder, J. S., and Ebersole, J. F.: Refractive index of special crystals and certain glasses, American Institute of Physics Handbook, 3rd Edn., Sect. 6b, edited by: Billings, B. H., McGraw-Hill, New York, 6-12–6-57, ISBN 007001485X, 9780070014855, 1972.
Barth, T. F. W.: Optical properties of mixed crystals, Am. J. Sci., s5–19, 135–146, https://doi.org/10.2475/ajs.s5-19.110.135, 1930.
Belsky, A., Hellenbrandt, M., Karen, V. L. and Luksch, P.: New developments in the inorganic crystal structure database (ICSD): accessibility in support of materials research and design, Acta Crystallogr., B58, 364–369, https://doi.org/10.1107/s0108768102006948, 2002.
Berg, R. W.: The CsBr-AlBr3 Phase diagram and the crystal structure of CsAlBr4, Acta Chemica Scandinavica, 51, 455–461, doinumber: 10.3891/acta.chem.scand.51-0455, 1997.
Berset, G., Depmeier, W., Boutellier, R., and Schmid, H.: Structure of boracite Cu3B7O13l, Acta Crystallogr., C41, 1694–1696, https://doi.org/10.1107/S0108270185009106, 1985.
Bigoli, F., Manotti Lanfredi, A. M., Tiripicchio, A., and Tiripicchio Camellini, M.: Crystal and molecular structure of hexaquomagnesium trihydrogenhexaoxoiodate(VII), Acta Crystallogr., B26, 1075–1079, https://doi.org/10.1107/S0567740870003643, 1970.
Birkenstock, J., Fischer, R. X., and Messner, T.: BRASS, the Bremen Rietveld analysis and structure suite, Z. Kristallogr. Suppl., 23, 237–242, https://doi.org/10.1524/9783486992526-041, 2006.
Blackburn, A. C. and Gerkin, R. E.: Structure of hexaaquacobalt(II) perbromate, Acta Crystallogr., C49, 1271–1275, https://doi.org/10.1107/S0108270192013465, 1993a.
Blackburn, A. C. and Gerkin, R. E.: Structure of tetraaquacalcium perbromate, Acta Crystallogr., C49, 1439–1442, https://doi.org/10.1107/S0108270193001714, 1993b.
Blackburn, A. C. and Gerkin, R. E.: Lithium perbromate monohydrate at 296 and 173K, Acta Crystallogr., C51, 3–7, https://doi.org/10.1107/S0108270194008449, 1995.
Blackburn, A. C., Gallucci, J. C., Gerkin, R. E., and Reppart, W. J.: Structure of sodium perbromate monohydrate, Acta Crystallogr., C48, 419–424, https://doi.org/10.1107/S0108270191010818, 1992.
Blackburn, A. C., Gallucci, J. C., Gerkin, R. E., and Reppart, W. J.: Structure of lithium perbromate trihydrate, Acta Crystallogr., C49, 1437–1439, https://doi.org/10.1107/S0108270193000538, 1993.
Bloss, F. D., Gunter, M., Su, S.-C., and Wolfe, H. E.: Gladstone-Dale constants; a new approach, Can. Mineral., 21, 93–99, 1983.
Borhade, A. V., Wakchaure, S. G., and Dholi, A. G.: One pot synthesis and crystal structure of aluminosilicate mixed chloro-iodo sodalite, Indian J. Phys., 84, 133–141, https://doi.org/10.1007/s12648-010-0032-0, 2010.
Botova, M., Botova, M., Nagel, R., Maneva, M., and Lutz, H. D.: Kristallstruktur, Infrarot- und Ramanspektren von Kupfertrihydrogenperiodatmonohydrat, CuH3IO6 ⋅ H2O, Z. Anorg. Allg. Chem., 627, 333–340, https://doi.org/10.1002/1521-3749(200103)627:3<333::AID-ZAAC333>3.0.CO;2-I, 2001.
Botova, M., Nagel, R., and Haeuseler, H.: Präparation, Kristallstruktur, Schwingungsspektren und thermische Analyse von Kupfer-tetrahydrogen-decaoxo-diperiodat-hexahydrat CuH4I2O10 ⋅ 6H2O, Z. Anorg. Allg. Chem., 630, 179–184, https://doi.org/10.1002/zaac.200300252, 2004.
Braibanti, A., Tiripicchio, A., Bigoli, F., and Pellinghelli, M. A.: Crystal and molecular structure of cadmium trihydrogenhexaoxoiodate(VII) trihydrate, Acta Crystallogr., B26, 1069–1074 https://doi.org/10.1107/S0567740870003631, 1970.
Brehler, B., Jacobi, H., and Siebert, H.: Kristallstruktur und Schwingungsspektrum von K4J2O9, Z. Anorg. Allg. Chem., 362, 301–311, https://doi.org/10.1002/zaac.19683620510, 1968.
Currie, D. B., Levason, W., Oldroyd, R. D., and Weller, M. T.: Reinvestigation of the mixed-metal periodates M′MIO6 (M alkali metal, M = Ge, Sn, Pb), J. Mater. Chem., 3, 447–451, https://doi.org/10.1039/JM9930300447, 1993.
Dang, Y., Meng, X., Jiang, K., Zhong, C., Chen, X., and Qin, J.: A promising nonlinear optical material in the Mid-IR region: new results on synthesis, crystal structure and properties of noncentrosymmetric β-HgBrCl, Dalton T., 42, 9893–9897, https://doi.org/10.1039/C3DT50291K, 2013.
Darminto, B., Rees, G. J., Cattermull, J., Hashi, K., Diaz-Lopez, M., Kuwata, N., Turrell, S. J., Milan, E., Chart, Y., Di Mino, C., Lee, H. J., Goodwin, A. L., and Pasta, M.: On the origin of the non-Arrhenius Na-ion conductivity in Na3OBr, Angew. Chem. Int. Edit., 62, e202314444, https://doi.org/10.1002/anie.202314444, 2023.
Degen, T., Sadki, M., Bron, E., König, U., and Nénert, G.: The HighScore suite, Powder Diffraction, 29, S13–S18, https://doi.org/10.1017/S0885715614000840, 2014.
Dennis, L. M. and Hance, F. E.: Germanium. III. Germaniumtetrabromid und Germaniumtetrachlorid, Z. Anorg. Allg. Chem., 122, 265–276, https://doi.org/10.1002/zaac.19221220125, 1922.
Dufet, M. H.: Forme cristalline et propriétés optiques du bromure de baryum, Bulletin de la Société Française de Minéralogie, 26, 65–80, https://doi.org/10.3406/bulmi.1903.2673, 1903.
Edwards, A. J. and Hana, A. A. K.: Fluoride crystal structures. Part 34. Antimony pentafluoride–iodine trifluoride dioxide, J. Chem. Soc. Dalton., 1734–1736, https://doi.org/10.1039/DT9800001734, 1980.
Eggleton, R. A.: Gladstone-Dale constants for the major elements in silicates: Coordination number, polarizability and the Lorentz-Lorentz relation, Can. Mineral., 29, 525–532, 1991.
Elliott, P., Cooper, M. A., and Pring, A.: Barlowite, Cu4FBr(OH)6, a new mineral isostructural with claringbullite: Description and crystal structure, Mineral. Mag., 78, 1755–1762, https://doi.org/10.1180/minmag.2014.078.7.17, 2014.
Erdmann, H.: Die Salze des Rubidiums und ihre Bedeutung für die Pharmazie, Arch. Pharm., 232, 3–36, https://doi.org/10.1002/ardp.18942320103, 1894.
Fairchild, J. G.: Artificial jarosites- the separation of potassium from cesium, Am. Mineral., 18, 543–547, 1933.
Farrugia, L. J.: WinGX and ORTEP for Windows: An update, J. Appl. Crystallogr., 45, 849–854, https://doi.org/10.1107/S0021889812029111, 2012.
Feikema, Y. D.: The crystal structures of two oxy-acids of iodine. I. A study of orthoperiodic acid, H5IO6, by neutron diffraction, Acta Crystallogr., 20, 765–769, https://doi.org/10.1107/S0365110X66001828, 1966.
Feklichev, V. G.: Diagnostic Constants of Minerals, 1st Edn., Mir Publishers/CRC Press, Moscow, Russia/Boca Raton, Florida, ISBN 0849375401, 1992.
Ferrari, A., Braibanti, A., and Tiripicchio, A.: The crystal structure of tetrapotassium dihydrogendecaoxodiiodate(VII) octahydrate, Acta Crystallogr., 19, 629–636, https://doi.org/10.1107/S0365110X65004000, 1965.
Fischer, D., Müller, A., and Jansen, M.: Existiert eine Wurtzit-Modifikation von Lithiumbromid? Untersuchungen im System LiBr/LiI, Z. Anorg. Allg. Chem., 630, 2697–2700, https://doi.org/10.1002/zaac.200400352, 2004.
Fischer, R. X., Burianek, M., and Shannon, R. D.: POLARIO, a computer program for calculating refractive indices from chemical compositions, Am. Mineral., 103, 1345–1348, https://doi.org/10.2138/am-2018-6587, 2018.
Fleet, M. E.: Structures of sodium alumino-germanate sodalites [Na8(Al6Ge6O24)A2, A = Cl, Br, I], Acta Crystallogr., C45, 843–847, https://doi.org/10.1107/S0108270188013964, 1989.
Gallucci, J. C., Gerkin, R. E., and Reppart, W. J.: Structure of nickel(II) perbromate hexahydrate at 296 K, Acta Crystallogr., C46, 1580–1584, https://doi.org/10.1107/S0108270189013533, 1990.
Gerkin, R. E., Reppart, W. J., and Appelman, E. H.: The structure of barium perbromate trihydrate Ba(BrO4)2 ⋅ 3H2O, Acta Crystallogr., C44, 960–962, https://doi.org/10.1107/S0108270188002215, 1988.
Gesing, T. M.: Structure and properties of tecto-gallosilicates II. sodium chloride, bromide and iodide sodalites, Z. Krist-Cryst. Mater., 222, 289–296, https://doi.org/10.1524/zkri.2007.222.6.289, 2007.
Gier, T. E., Harrison, W. T. A., and Stucky, G. D.: The synthesis and structure of some new sodalites: the lithium haloberyllophosphates and -arsenates, Angew. Chem. Int. Edit., 30, 1169–1171, https://doi.org/10.1002/anie.199111691, 1991.
Gladstone, J. H. and Dale, T. P.: XIV. Researches on the refraction, dispersion, and sensitiveness of liquids, Philos. T. R. Soc., 153, 317–343, https://doi.org/10.1098/rstl.1863.0014, 1863.
Gundelach, E.: Die Dispersion von KBr-Kristallen im Ultraroten, Z. Phys., 66, 775–783, https://doi.org/10.1007/BF01390801, 1930.
Gunter, M. E. and Ribbe, P. H.: Natrolite group zeolites: Correlations of optical properties and crystal chemistry, Zeolites., 13, 435–440, https://doi.org/10.1016/0144-2449(93)90117-L, 1993.
Gyulai, Z.: Die Dispersion einiger Alkalihalogenide im Ultravioletten, Z. Phys., 46, 80–87, https://doi.org/10.1007/BF02055759, 1927.
Haase, M.: Kürzere Originalmitteilungen und Notizen. Die Dispersion des Ammoniumbromid, Z. Krist-Cryst. Mater., 80, 132–133, https://doi.org/10.1524/zkri.1931.80.1.132, 1931.
Haberkorn, R., Bauer, J., and Kickelbick, G.: Ba2PO4I, Sr2PO4I, and Pb2PO4I – A new structure type and three of its representatives, Z. Anorg. Allg. Chem., 640, 3153–3158, https://doi.org/10.1002/zaac.201400221, 2014.
Haeuseler, H. and Botova, M.: Zur Kenntnis von Calciumtetrahydrogen-hexaoxo-diperiodattetrahydrat CaH4I2O10 ⋅ 4H2O: Kristallstruktur, Schwingungsspektren und thermische Analyse, Z. Naturforsch., B57, 1337–1345, https://doi.org/10.1515/znb-2002-1201, 2002.
Haeuseler, H. and Wagener, M.: Crystal structure and vibrational spectra of BaH4I2O10 ⋅ 2H2O, J. Mol. Struct., 892, 1–7, https://doi.org/10.1016/j.molstruc.2008.04.039, 2008.
Han, X., Lahera, D. E., Serrano, M. D., Cascales, C., and Zaldo, C.: Ultraviolet to infrared refractive indices of tetragonal double tungstate and double molybdate laser crystals, Appl. Phys., B108, 509–514, https://doi.org/10.1007/s00340-012-4936-6, 2012.
Harting, H.: Die Brechzahlen einiger Halogenidkristalle, Sitzber. Deut. Akad. Wiss. Berlin, IV, 1, 1948.
Hellwege, K. H. and Hellwege, A. M.: Landolt-Börnstein, Band II. Teil 8. Optische Konstanten, Springer, Berlin, ISBN 3540051783, 1962.
Hoppe, R. and Schneider, J.: Eine “misslungene” Synthese: Über K4Li[IO6] und K5I2[AuO2], J. Less-Common Met., 137, 85–103, https://doi.org/10.1016/0022-5088(88)90078-1, 1988.
Hull, S., Keen, D. A., Sivia, D. S., and Berastegui, P.: Crystal structures and ionic conductivities of ternary derivatives of the silver and copper monohalides: I. Superionic phases of stoichiometry MA4I5: RbAg4I5, KAg4I5, and KCu4I5, J. Solid. State. Chem., 165, 363–371, https://doi.org/10.1006/jssc.2002.9552, 2002.
Hummel, T., Salk, F., Ströbele, M., Enseling, D., Jüstel, T., and Meyer, H.-J.: The orthoperiodates of calcium, strontium, and barium, Eur. J. Inorg. Chem., 977–981, https://doi.org/10.1002/ejic.201403094, 2015.
Jaffe, H. W.: Crystal Chemistry and Refractivity, Dover Books in Science and Mathematics, Dover Publications, ISBN 9780486691732, 1996.
Jansen, M. and Kraft, T.: Li2H3IO6, eine neue Variante der Molybdänitstruktur, Z. Anorg. Allg. Chem., 620, 53–57, https://doi.org/10.1002/zaac.19946200109, 1994.
Jemmer, P., Fowler, P. W., Wilson, M., and Madden, P. A.: Environmental effects on anion polarizability: Variation with lattice parameter and coordination number, J. Phys. Chem., A102, 8377–8385, https://doi.org/10.1021/jp982029j, 1998.
Johnson, G. M. and Weller, M. T.: Synthesis and characterisation of gallium and germanium containing sodalites, in: Studies in Surface Science and Catalysis, edited by: Chon, H., Ihm, S.-K., and Uh, Y. S., 105, 269–275, https://doi.org/10.1016/S0167-2991(97)80565-4, 1997.
Johnson, G. M. and Weller, M. T.: A powder neutron diffraction study of lithium-substituted gallosilicate and aluminogermanate halide sodalites, Inorg. Chem., 38, 2442–2450, https://doi.org/10.1021/ic9812510, 1999.
Jones, E. M., Levason, W., Oldroyd, R. D., Webster, M., Thomas, M., and Hutchings, J.: Synthesis, spectroscopic and structural characterisation of periodate complexes of iron(III), J. Chem. Soc. Dalton., 3367–3373, https://doi.org/10.1039/DT9950003367, 1995.
Kellersohn, T.: Structure of potassium sodium orthoperiodate(VII) tetrahydrate Acta Crystallogr., C47, 1133–1136, https://doi.org/10.1107/S0108270190013269, 1991.
Kent, G. T., Morgan, E., Albanese, K. R., Kallistova, A., Brumberg, A., Kautzsch, L., Wu, G., Vishnoi, P., Seshadri, R., and Cheetham, A. K.: Elusive Double Perovskite Iodides: Structural, Optical, and Magnetic Properties, Angew. Chem. Int. Edit., 62, e202306000, https://doi.org/10.1002/anie.202306000, 2023.
Knyazev, A. V., Chernorukov, N. G., and Bulanov, E. N.: Apatite-structured compounds: Synthesis and high-temperature investigation, Mater. Chem. Phys., 132, 773–781, https://doi.org/10.1016/j.matchemphys.2011.12.011, 2012.
Kondo, H., Kobayashi, A., and Sasaki, Y.: The structure of the hexamolybdoperiodate anion in its potassium salt, Acta Crystallogr., B36, 661–664, https://doi.org/10.1107/S0567740880004037, 1980.
Korth, K.: Dispersionsmessungen an Kaliumbromid und Kaliumjodid im Ultraroten, Z. Phys., 84, 677–685, https://doi.org/10.1007/BF01330491, 1933.
Kovalevskiy, A. and Jansen, M.: Synthesis, Crystal Structure Determination, and Physical Properties of Ag5IO6, Z. Anorg. Allg. Chem., 632, 577–581, https://doi.org/10.1002/zaac.200500476, 2006.
Kraemer, K., Meyer, G., Fischer, P., Hewat, A. W., and Güdel, H. U.: Neutron diffraction investigation of magnetic phase transitions to long-range antiferromagnetic ordering in the “free-electron” praseodymium halides Pr2X5 (X = Br, I), J. Solid. State. Chem., 95, 1–13, https://doi.org/10.1016/0022-4596(91)90370-W, 1991.
Kraft, T. and Jansen, M.: Zur Existenz des Tetrahydrogenorthoperiodations: Die Kristallstruktur von LiH4IO6 ⋅ H2O, Z. Anorg. Allg. Chem., 620, 805–808, https://doi.org/10.1002/zaac.19946200508, 1994.
Kraft, T. and Jansen, M.: Die Kristallstruktur von Lithiummetaperiodat, LiIO4, Z. Anorg. Allg. Chem., 621, 484–487, https://doi.org/10.1002/zaac.19956210326, 1995.
Kubel, F., Mao, S. Y., and Schmid, H.: Structure of the fully ferroelectric/fully ferroelastic orthorhombic room-temperature phase of cobalt bromine boracite, Co3B7O13Br and nickel chlorine boracite, Ni3B7O13Cl, Acta Crystallogr., C48, 1167–1170, https://doi.org/10.1107/S0108270191014129, 1992.
Kublitzky, A.: Einige optische Konstanten von Alkalihalogenidkristallen, Ann. Phys-Berlin., 412, 793–808, https://doi.org/10.1002/andp.19344120708, 1934.
Larsen, E. S.: The microscopic determination of the nonopaque minerals (Bulletin 679), United States Government Printing Office, Washington, DC, https://doi.org/10.3133/b679, 1921.
Leuenberger, B., Briat, B., Canit, J. C., Furrer, A., Fischer, P., and Guedel, H. U.: Synthesis, structural characterization, and magnetic properties of V3+ dimer compounds. Neutron scattering and magnetic circular dichroism study of Cs3V2Cl9 and Rb3V2Br9, Inorg. Chem., 25, 2930–2935, https://doi.org/10.1021/ic00237a003, 1986.
Li, Y., Wang, M., Zhu, T., Meng, X., Zhong, C., Chen, X., and Qin, J.: Synthesis, crystal structure and properties of a new candidate for nonlinear optical material in the IR region: Hg2BrI3, Dalton. T., 41, 763–766, https://doi.org/10.1039/C1DT11317H, 2012.
Lorentz, H. A.: Ueber die Beziehung zwischen der Fortpflanzungsgeschwindigkeit des Lichtes und der Körperdichte, Ann. Phys.-Berlin, 245, 641–665, https://doi.org/10.1002/andp.18802450406, 1880.
Lorenz, L.: Ueber die Refractionsconstante, Ann. Phys.-Berlin, 247, 70–103, https://doi.org/10.1002/andp.18802470905, 1880.
Mandarino, J. A.: The Gladstone-Dale relationship, Part I, Derivation of new constants, Can. Mineral., 14, 498–502, 1976.
Mandarino, J. A.: The Gladstone-Dale relationship, Part III, Some general applications, Can. Mineral., 17, 71–76, 1979.
Mandarino, J. A.: The Gladstone-Dale relationship, Part IV, The compatibility concept and its application, Can. Mineral., 19, 441–450, 1981.
Mathew, M., Takagi, S., and Brown, W. E.: Planar Ca-PO4 sheet-Type structures: calcium bromide dihydrogenphosphate tetrahydrate, CaBr(H2PO4) ⋅ 4H2O, and calcium iodide dihydrogenphosphate tetrahydrate, CaI(H2PO4) ⋅ 4H2O, Acta Crystallogr., C40, 1662–1665, https://doi.org/10.1107/S0108270184009082, 1984.
Mattes, R. and Richter, K.-L.: Darstellung und Struktur des Polyvanadato-periodates Na6[H2V2I2O16] ⋅ 10H2O, Z. Naturforsch., B37, 1241–1244, https://doi.org/10.1515/znb-1982-1005, 1982.
Mattes, R., Matz, C., and Sicking, E.: Monomolybdato- und Monowolframato-perjodate: Die Kristallstruktur von K6[Mo2J2O16] ⋅ 10 H2O, Z. Anorg. Allg. Chem., 435, 207–213, https://doi.org/10.1002/zaac.19774350128, 1977.
May, A., Sjoberg, J. J., and Baglin, E. G.: Synthetic argentojarosite: physical properties and thermal behavior, Am. Mineral., 58, 936–941, 1973.
Merwin, H. E.: International Critical Tables, McGraw-Hill Book Co., New York, NY, Vol. 7, p. 27, ISBN 978-1015896604, 1930.
Mormann, Th. J. and Jeitschko, W.: Crystal structure of trimercury(II) dihydrogenhexaoxoiodate(VII), Hg3(H2IO6)2, Z. Krist. New. Cryst. St., 215, 315–316, https://doi.org/10.1515/ncrs-2000-0303, 2000.
Mormann, Th. J. and Jeitschko, W.: Crystal structure of mercury(II) trihydrogenhexaoxoiodate(VII), HgH3IO6, Z. Krist. New. Cryst. St., 216, 1–2, https://doi.org/10.1524/ncrs.2001.216.14.1, 2001.
Morosin, B.: Crystal Structure of manganese (II) and cobalt (II) bromide dihydrate, J. Chem. Phys., 47, 417–420, https://doi.org/10.1063/1.1711911, 1967.
Mudring, A.-V. and Babai, A.: [Nd6(μ6-O)(μ3-OH)8(H2O)24]I8(H2O)12 the first basic rare earth iodide with an oxygen-centred M6X8-cluster core, Z. Anorg. Allg. Chem., 631, 261–263, https://doi.org/10.1002/zaac.200400377, 2005.
Murshed, M. M. and Gesing, T. M.: Isomorphous gallium substitution in the alumosilicate sodalite framework: synthesis and structural studies of chloride and bromide containing phases, Z. Krist-Cryst. Mater., 222, 341–349, https://doi.org/10.1524/zkri.2007.222.7.341, 2007.
Nesse, W. D.: Introduction to Optical Mineralogy, 2nd Edn., Oxford University Press, New York, ISBN 0195060245, 2013.
Needs, R. L., Weller, M. T., Scheler, U., and Harris, R. K.: Synthesis and structure of Ba2InO3X (X = F, Cl, Br) and Ba2ScO3F; oxide/halide ordering in K2NiF4-type structures, J. Mater. Chem., 6, 1219–1224, https://doi.org/10.1039/JM9960601219, 1996.
Nezamabadi, S.: Determination of the electronic polarizabilities of bromine in bromides, bromates, and perbromates, Master thesis, University of Bremen, 2023.
O'Sullivan, S. E., Montoya, E., Sun, S.-K., George, J., Kirk, C., Dixon Wilkins, M. C., Weck, P. F., Kim, E., Knight, K. S., and Hyatt, N. C.: Crystal and Electronic Structures of A2NaIO6 Periodate Double Perovskites (A = Sr, Ca, Ba): Candidate Wasteforms for I-129 Immobilization, Inorg. Chem., 59, 18407–18419, https://doi.org/10.1021/acs.inorgchem.0c03044, 2020.
Palik, E. D. (Ed.): Handbook of Optical Constants of Solids II, Academic Press, College Park, Maryland, ISBN 0-12-544422-2, 1991.
Palik, E. D. (Ed.): Handbook of Optical Constants of Solids III, Academic Press, ISBN 0-12-544423-0, 1998.
Penhouet, T., Hagemann, H., Kubel, F., and Rief, A.: Calcium-free solid solutions in the system Ba7F12Cl2−xBrx (x < 1.5), a single-component white phosphor host, J. Chem. Crystallogr., 37, 469–472, https://doi.org/10.1007/s10870-007-9195-8, 2007.
Pfitzner, A., Lutz, H. D., and Cockcroft, J. K.: Li2ZnI4: A neutron powder study, J. Solid State Chem., 87, 463–466, https://doi.org/10.1016/0022-4596(90)90050-8, 1990.
Pogue, E. A., Bond, J., Imperato, C., Abraham, J. B. S., Drichko, N., and McQueen, T. M.: A gold(I) oxide double perovskite: Ba2AuIO6, J. Am. Chem. Soc., 143, 19033–19042, https://doi.org/10.1021/jacs.1c08241, 2021.
Rögner, P., Schießl, U., and Range, K.-J.: On the space group of cesium perbromate, CsBrO4, Z. Naturforsch., B48, 235–236, https://doi.org/10.1515/znb-1993-0219, 1993.
Rosu, C. and Weakley, T. J. R.: Disodium chromium(III) hexamolybdoiodate(VII) 24-hydrate, Na2Cr[IMo6O24] ⋅ 24H2O, Acta Crystallogr., C56, e170–e171, https://doi.org/10.1107/S0108270100005229, 2000.
Sarp, H., Pushcharovsky, D. Y., MacLean, E. J., Teat, S. J., and Zubkova, N. V.: Tillmannsite, (Ag3Hg)(V,As)O4, a new mineral: its description and crystal structure, Eur. J. Mineral., 15, 177–180, https://doi.org/10.1127/0935-1221/2003/0015-0177, 2003.
Sasaki, M., Yarita, T., and Sato, S.: Ba(H3IO6), Acta Crystallogr., C51, 1968–1970, https://doi.org/10.1107/S0108270195004744, 1995.
Shannon, R. D.: Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides, Acta Crystallogr., A32, 751–761, https://doi.org/10.1107/S0567739476001551, 1976.
Shannon, R. D.: Dielectric polarizabilities of ions in oxides and fluorides, J. Appl. Phys., 73, 348–366, https://doi.org/10.1063/1.353856, 1993.
Shannon, R. D. and Fischer, R. X.: Empirical electronic polarizabilities in oxides, hydroxides, oxyfluorides, and oxychlorides, Phys. Rev., B73, 235111, https://doi.org/10.1103/PhysRevB.73.235111, 2006.
Shannon, R. D. and Fischer, R. X.: Empirical electronic polarizabilities of ions for the prediction and interpretation of refractive indices: Oxides and oxysalts, Am. Mineral., 101, 2288–2300, https://doi.org/10.2138/am-2016-5730, 2016.
Shannon, R. C., Lafuente, B., Shannon, R. D., Downs, R. T., and Fischer, R. X.: Refractive indices of minerals and synthetic compounds, Am. Mineral., 102, 1906–1914, https://doi.org/10.2138/am-2017-6144, 2017.
Sheldrick, G. M.: Crystal structure refinement with SHELXL, Acta Crystallogr., C71, 3–8, https://doi.org/10.1107/S2053229614024218, 2015.
Siegel, S., Tani, B., and Appelman, E.: Crystal structure of potassium perbromate, Inorg. Chem., 8, 1190–1191 https://doi.org/10.1021/ic50075a036, 1969.
Smaha, R. W., He, W., Sheckelton, J. P., Wen, J., and Lee, Y. S.: Synthesis-dependent properties of barlowite and Zn-substituted barlowite, J. Solid. State. Chem., 268, 123–129, https://doi.org/10.1016/j.jssc.2018.08.016, 2018.
Spangenberg, K.: Dichte und Lichtbrechung der Alkalihalogenide, Z. Krist-Cryst. Mater., 57, 494–534, https://doi.org/10.1524/zkri.1922.57.1.494, 1922.
Sprockhoff, M.: Beiträge zu den Beziehungen zwischen dem Krystall und seinem chemischen Bestand, Neues. Jahrb. Geol. Paläontol, Beilagen-Band., 18, 151, 117–154, 1903.
Stein, A., Ozin, G. A., Macdonald, P. M., Stucky, G. D., and Jelinek, R.: Silver, sodium halosodalites: class A sodalites, J. Am. Chem. Soc., 114, 5171–5186, https://doi.org/10.1021/ja00039a032, 1992.
Subban, B. and Dhanraj, R.: Luminescence and structural characterization on praseodymium (Pr3+) doped potassium bromide (KBr) single crystals, Luminescence., 33, 885–890, https://doi.org/10.1002/bio.3486, 2018.
Swanson, H. and Fuyat, E.: Standard X-ray Diffraction Powder Patterns, National Bureau of Standards Circular 539, Vol. 2, Washington, D.C., U.S. Government Printing Office, https://doi.org/10.6028/NBS.CIRC.539v2, 1953.
Swanson, H. and Tatge, R. K.: Standard X-ray Diffraction Powder Patterns, National Bureau of Standards Circular 539, Vol. 1, Washington, D.C., U.S. Government Printing Office, https://doi.org/10.6028/NBS.CIRC.539v1, 1953.
Swanson, H. E., Fuyat, R. K., and Ugrinic, G. M.: Standard X-ray Diffraction Powder Patterns, National Bureau of Standards Circular 539, Vol. 3, Washington, D.C., U.S. Government Printing Office, https://doi.org/10.6028/NBS.CIRC.539v3, 1954.
Swanson, H., Fuyat, R. K., and Ugrinic, G. M.: Standard X-ray Diffraction Powder Patterns, National Bureau of Standards Circular 539, Vol. 4, Washington, D.C., U.S. Government Printing Office, https://doi.org/10.6028/NBS.CIRC.539v4, 1955a.
Swanson, H., Gilfrich, N. T., and Ugrinic, G. M.: Standard X-ray Diffraction Powder Patterns, National Bureau of Standards Circular 539, Vol. 5, Washington, D.C., U.S. Government Printing Office, https://doi.org/10.6028/NBS.CIRC.539v5, 1955b.
Swanson, H. E., Gilfrich, N. T., and Cook, M. I.: Standard X-ray Diffraction Powder Patterns, National Bureau of Standards Circular 539, Vol. 7, Superintendent of Documents, U.S. Government Printing Office, Washington, https://doi.org/10.6028/NBS.CIRC.539v7, 1957.
Timofte, T., Babai, A., Meyer, G., and Mudring, A.-V.: Praseodymium triiodide nonahydrate, Acta Crystallogr., E61, i94–i95, https://doi.org/10.1107/S1600536805012857, 2005.
Topsoe, H. and Christiansen, C.: Recherches optiques sur quelques séries de substances isomorphes, 5th ser., 21, Crochard / V. Masson, Paris, ISBN 1273201892, 1874.
Tutov, A. G., Gavrilov, V. V., Isupov, V. K., Kolycheva, T. I., and Fundamenskii, V. S.: Preparation and X-ray structure analysis of crystals of rubidium and ammonium perbromates, Zh. Neorg. Khim., 31, 589–592, 1986.
Untenecker, H. and Hoppe, R.: Ein neues Periodat. Zum Aufbau von K9Li3I2O13= K9Li3O[IO6]2, Z. Anorg. Allg. Chem., 549, 129–138, https://doi.org/10.1002/zaac.19875490613, 1987.
Verbist, J., Piret, P., and Van Meerssche, M.: Structure cristalline et protonique de l'iodure de sodium dihydraté NaI ⋅ 2H2O, B. Soc. Fr. Mineral. Cr., 93, 509–514, https://doi.org/10.3406/bulmi.1970.6506, 1970.
Volkov, S. N., Charkin, D. O., Arsent'ev, M. Y., Povolotskiy, A. V., Stefanovich, S. Y., Ugolkov, V. L., Krzhizhanovskaya, M. G., Shilovskikh, V. V., and Bubnova, R. S.: Bridging the salt-inclusion and open-framework structures: The case of acentric Ag4B4O7X2 (X = Br, I) borate halides, Inorg. Chem., 59, 2655–2658, https://doi.org/10.1021/acs.inorgchem.0c00306, 2020.
Waal, D. D., Zabel, M., and Range, K.-J.: The crystal structure of β-CsIO4, the room-temperature modification of cesium periodate, Z. Naturforsch., B51, 441–443, https://doi.org/10.1515/znb-1996-0323, 1996.
Weast, R. C., Astle, M. J., and Beyer, W. H.: CRC Handbook of Chemistry and Physics, 66th Edn., CRC Press, United States, ISBN 0849304857, 1985.
Weller, M. T. and Wong, G.: Mixed halide sodalites, Eu. J. Solid state Inorg. Chem., 26, 619–633, 1989.
Wernicke, W.: Ueber die Brechung und Dispersion des Lichtes in Jod-, Brom- und Chlorsilber, Ann. Phys., 142, 560–573, https://gallic a.bnf.fr/ark:/12148/bpt6k15226m, 1871.
Wilson, R. E., Skanthakumar, S., Burns, P. C., and Soderholm, L.: Structure of the homoleptic thorium(IV) Aqua Ion [Th(H2O)10]Br4, Angew. Chem. Int. Edit., 46, 8043–8045, https://doi.org/10.1002/anie.200702872, 2007.
Winchell, A. N.: Elements of Optical Mineralogy, An Introduction to Microscopic Petrography, John Wiley and Sons, New York, ISBN 140670055X, 1933.
Winchell, N. H. and Winchell, A. N.: The Microscopic Characters of Artificial Inorganic Solid Substances or Artificial Minerals, John Wiley and Sons, New York, 1931.
Wu, Q., Meng, X., Zhong, C., Chen, X., and Qin, J.: Rb2CdBr2I2: A new IR nonlinear optical material with a large laser damage threshold, J. Am. Chem. Soc., 136, 5683–5686, https://doi.org/10.1021/ja412405u, 2014.
Wu, Q., Liu, X., Xu, S., Pi, H., Han, X., Liu, Y., and Li, Y.: Synthesis, crystal structures and nonlinear optical properties of β-RbCdI3 ⋅ H2O and CsCdI3 ⋅ H2O, Dalton. T., 48, 6787–6793, https://doi.org/10.1039/C9DT01408J, 2019.
Wulff, P. and Schaller, D.: Refraktometrische Messungen an Kristallen und Vergleich isomorpher Salze mit edelgasähnlichen und edelgasunähnlichen Kationen: 8. Mitteilung über Refraktion und Dispersion von Kristallen, Z. Krist-Cryst. Mater., 87, 43–71, https://doi.org/10.1524/zkri.1934.87.1.43, 1934.
Zhang, Z., Suchanek, E., Eßer, D., Lutz, H. D., Nikolova, D., and Maneva-Petrova, M.: NiH3IO6 ⋅ 6H2O Kristallstruktur und Schwingungsspektren, Z. Anorg. Allg. Chem., 622, 845–852, https://doi.org/10.1002/zaac.19966220516, 1996.
Zhao, J. and Li, R. K.: Two new barium borate bromides: Ba2BO3Br and Ba3BO3Br3, Solid. State. Sci., 24, 54–57, https://doi.org/10.1016/j.solidstatesciences.2013.07.009, 2013.
Download
The requested paper has a corresponding corrigendum published. Please read the corrigendum first before downloading the article.
- Article
(1239 KB) - Full-text XML
- Corrigendum
-
Supplement
(278 KB) - BibTeX
- EndNote
Short summary
We conducted experimental and computational studies, compiling datasets of compounds with established refractive indices and supplementing them with our measurements of compounds containing I⁻, Br⁻, or Br7+. We calculated the electronic polarizabilities of these ions to estimate the mean refractive index of I- and Br-containing compounds. Results were compared to the Gladstone–Dale approach, confirming their reliability in predicting optical properties.
We conducted experimental and computational studies, compiling datasets of compounds with...