Crystallography Open Database

Information card for entry 1508444

Preview

Coordinates	1508444.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ga3 Na8 P6 Rb
Calculated formula	Ga3 Na8 P6 Rb
SMILES	[Rb+].[Ga]1([P-][Ga]([P-][Ga]([P-]1)[P-2])[P-2])[P-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	22.276 ± 0.003 Å
b	4.6947 ± 0.0006 Å
c	16.356 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1710.5 ± 0.4 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	0.0698
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.0625
Weighted residual factors for all reflections included in the refinement	0.0707
Goodness-of-fit parameter for all reflections included in the refinement	1.104
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.	1508444.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508444.cif
69272	2012-12-06	cif/ Updating files of 1508444 Original log message: mistake in journal_issue, fixed	1508444.cif
69264	2012-12-06	cif/ Adding structures of 1508444 via cif-deposit CGI script.	1508444.cif