Abstract
Pb5O2[WO6] was discovered as a frequently observed side phase during our investigation on lead tungstates. Its crystal structure was solved by single-crystal X-ray diffraction (P2(1)/n, a = 7.4379 (2) angstrom, b = 12.1115 (4) angstrom, c = 10.6171(3) angstrom, beta = 90.6847(8)degrees, Z = 4, R-int = 0.038, R-1 = 0.020, omega R-2 = 0.029, 4188 data, 128 param.) and is isotypic with Pb5O2 ...
Abstract
Pb5O2[WO6] was discovered as a frequently observed side phase during our investigation on lead tungstates. Its crystal structure was solved by single-crystal X-ray diffraction (P2(1)/n, a = 7.4379 (2) angstrom, b = 12.1115 (4) angstrom, c = 10.6171(3) angstrom, beta = 90.6847(8)degrees, Z = 4, R-int = 0.038, R-1 = 0.020, omega R-2 = 0.029, 4188 data, 128 param.) and is isotypic with Pb5O2 [Te-6]center dot Pb5O2 [WO6] comprises a layered structure built up by non-condensed [WO6](6-)octahedra and [O4Pb10](12+) oligomers. The compound was characterised by spectroscopic measurements (Infrared (IR), Raman and Ultraviolet-visible (UV/Vis) spectra) as well as quantum chemical and electrostatic calculations (density functional theory (DFT), MAPLE) yielding a band gap of 2.9 eV fitting well with the optical one of 2.8 eV. An estimation of the refractive index based on the Gladstone-Dale relationship yielded n approximate to 2.31. Furthermore first results of the thermal analysis are presented.
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