Crystallography Open Database

Information card for entry 1508443

Preview

Coordinates	1508443.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As6 Ga3 Na8 Rb
Calculated formula	As6 Ga3 Na8 Rb
SMILES	[Rb+].[As-2][Ga]1[As-][Ga]([As-][Ga]([As-]1)[As-2])[As-2].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Title of publication	Synthesis and Crystal Structures of the Quaternary Zintl Phases RbNa8Ga3Pn6 (Pn = P, As) and Na10NbGaAs6
Authors of publication	He, Hua; Tyson,Chauntae; Bobev, Svilen
Journal of publication	Crystals
Year of publication	2012
Journal volume	2
Journal issue	2
Pages of publication	213 - 223
a	22.843 ± 0.006 Å
b	4.7892 ± 0.0012 Å
c	16.861 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1844.6 ± 0.8 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0619
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0521
Weighted residual factors for all reflections included in the refinement	0.0611
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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.	1508443.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508443.cif
69271	2012-12-06	cif/ Updating files of 1508443 Original log message: mistake in journal_issue, fixed	1508443.cif
69263	2012-12-06	cif/ Adding structures of 1508443 via cif-deposit CGI script.	1508443.cif