Crystallography Open Database

Information card for entry 4501808

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Structure parameters

Formula	O3 Sc2
Calculated formula	O3 Sc2
Title of publication	ScVO4: Explorations of Novel Crystalline Inorganic Optical Materials in Rare-Earth Orthovanadate Systems
Authors of publication	Cong, Hengjiang; Zhang, Huaijin; Yao, Bin; Yu, Wentao; Zhao, Xian; Wang, Jiyang; Zhang, Guangcai
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	10
Pages of publication	4389
a	9.8349 ± 0.0001 Å
b	9.8349 ± 0.0001 Å
c	9.8349 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	951.283 ± 0.017 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	2
Space group number	206
Hermann-Mauguin space group symbol	I a -3
Hall space group symbol	-I 2b 2c 3
Residual factor for all reflections	0.0153
Residual factor for significantly intense reflections	0.0146
Weighted residual factors for significantly intense reflections	0.0395
Weighted residual factors for all reflections included in the refinement	0.0436
Goodness-of-fit parameter for all reflections included in the refinement	1.359
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
303132 (current)	2025-11-01	Add cross-references to the ROD in COD range 4/	4501808.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4501808.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501808.cif
36122	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501808 via cif-deposit CGI script.	4501808.cif