Crystallography Open Database

Information card for entry 2241363

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Structure parameters

Chemical name	Tetracalcium triarsenide
Formula	As3 Ca4
Calculated formula	As3 Ca4
SMILES	[As-3].[As-3].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[As-2][As-2].[As-3].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[As-3]
Title of publication	Ca~4~As~3~ ‒ a new binary calcium arsenide
Authors of publication	Hoffmann, Andrea V.; Hlukhyy, Viktor; Fässler, Thomas F.
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	12
Pages of publication	1548 - 1550
a	11.5137 ± 0.0005 Å
b	12.0584 ± 0.0006 Å
c	10.3426 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1435.93 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	2
Space group number	55
Hermann-Mauguin space group symbol	P b a m
Hall space group symbol	-P 2 2ab
Residual factor for all reflections	0.0991
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0481
Weighted residual factors for all reflections included in the refinement	0.0537
Goodness-of-fit parameter for all reflections included in the refinement	0.68
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181914 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/13.	2241363.cif 2241363.hkl
170597	2015-11-29	cif/ hkl/ Adding structures of 2241363 via cif-deposit CGI script.	2241363.cif 2241363.hkl