Crystallography Open Database

Information card for entry 1508411

Preview

Coordinates	1508411.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As7 Cs2 Na
Calculated formula	As7 Cs2 Na
SMILES	[As-]1[As]2[As]3[As]2[As-][As]1[As-]3.[Na+].[Cs+].[Cs+]
Title of publication	New Compounds with [As7]3- Clusters: Synthesis and Crystal Structures of the Zintl Phases Cs2NaAs7, Cs4ZnAs14 and Cs4CdAs14
Authors of publication	Hua, He; Chauntae, Tyson; Svilen, Bobev
Journal of publication	Crystals
Year of publication	2012
Journal volume	1
Journal issue	3
Pages of publication	87 - 98
a	11.7671 ± 0.0018 Å
b	10.8528 ± 0.0017 Å
c	10.2115 ± 0.0015 Å
α	90°
β	90.213 ± 0.003°
γ	90°
Cell volume	1304.1 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
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	0.088
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.0678
Weighted residual factors for all reflections included in the refinement	0.0812
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1508411.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508411.cif
69125	2012-12-03	cif/ Updating files of 1508411 Original log message: mistake in journal volume	1508411.cif
69009	2012-11-29	cif/ Adding structures of 1508411 via cif-deposit CGI script.	1508411.cif