Crystallography Open Database

Information card for entry 4500999

Preview

Coordinates	4500999.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Barium uranyl mixed arsenate
Formula	As4 Ba3 O19 U2
Calculated formula	As4 Ba3 O19 U2
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	19.246 ± 0.002 Å
b	9.536 ± 0.001 Å
c	9.619 ± 0.001 Å
α	90°
β	95.585 ± 0.006°
γ	90°
Cell volume	1757 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1309
Weighted residual factors for all reflections included in the refinement	0.132
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
179540 (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 4/50/09.	4500999.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500999.cif
34719	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500998, 4500999, 4501000 via cif-deposit CGI script.	4500999.cif