Crystallography Open Database

Information card for entry 1540506

Preview

Coordinates	1540506.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Strontium aluminium arsenide (3/1/3)
Chemical name	Strontium aluminium arsenide (3/1/3)
Formula	Al As3 Sr3
Calculated formula	Al As3 Sr3
SMILES	[Sr+2].[Sr+2].[Sr+2].[Sr+2].[Sr+2].[Sr+2].[As-]1[Al]([As-][Al]1([As-2])[As-2])([As-2])[As-2]
Title of publication	Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)
Authors of publication	Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen
Journal of publication	Crystals
Year of publication	2015
Journal volume	5
Journal issue	4
Pages of publication	433
a	19.149 ± 0.002 Å
b	6.5652 ± 0.0008 Å
c	12.6871 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	1595 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
Space group number	64
Hermann-Mauguin space group symbol	C m c e
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.032
Residual factor for significantly intense reflections	0.0228
Weighted residual factors for significantly intense reflections	0.0378
Weighted residual factors for all reflections included in the refinement	0.0411
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1540506.cif
170125	2015-11-06	cif/ Adding structures of 1540506 via cif-deposit CGI script.	1540506.cif