Crystallography Open Database

Information card for entry 4501000

Preview

Coordinates	4501000.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	barium calcium uranyl arsenate
Formula	As4 Ba5 Ca O40 U8
Calculated formula	As4 Ba5 Ca O40 U8
Title of publication	Structural Complexity of Barium Uranyl Arsenates: Synthesis, Structure, and Topology of Ba4[(UO2)2(As2O7)3], Ba3[(UO2)2(AsO4)2(As2O7)], and Ba5Ca[(UO2)8(AsO4)4O8]
Authors of publication	Alekseev, Evgeny V.; Krivovichev, Sergey V.; Depmeier, Wulf
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	7
Pages of publication	3295
a	12.073 ± 0.001 Å
b	12.838 ± 0.001 Å
c	13.472 ± 0.001 Å
α	90°
β	116.969 ± 0.003°
γ	90°
Cell volume	1861 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0619
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1149
Weighted residual factors for all reflections included in the refinement	0.1169
Goodness-of-fit parameter for all reflections included in the refinement	1.333
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
179541 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/10.	4501000.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501000.cif
34719	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500998, 4500999, 4501000 via cif-deposit CGI script.	4501000.cif