Crystallography Open Database

Information card for entry 7216768

Preview

Coordinates	7216768.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	K6 Mo2 O14 P2
Calculated formula	K6 Mo2 O14 P2
SMILES	[K+].[K+].[K+].[K+].O=[Mo]12(OP(=O)(O[Mo]3(OP(=O)(O2)O3)(=O)(=O)=O)O1)(=O)=O.[K+].[K+]
Title of publication	K3MoPO7: the first molybdenum phosphate with edge-sharing MoO6 octahedra and PO4 tetrahedra
Authors of publication	Luo, Siyang; Kang, Lei; Lin, Zheshuai; Chen, Chuangtian
Journal of publication	RSC Advances
Year of publication	2014
Journal volume	4
Journal issue	52
Pages of publication	27122
a	13.99 ± 0.003 Å
b	5.86 ± 0.0012 Å
c	9.6157 ± 0.0019 Å
α	90°
β	111.68 ± 0.03°
γ	90°
Cell volume	732.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0311
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0776
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
180498 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/67.	7216768.cif
118048	2014-06-25	cif/ Adding structures of 7216768 via cif-deposit CGI script.	7216768.cif