Crystallography Open Database

Information card for entry 2238071

Preview

Coordinates	2238071.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Silver(I) decacalcium heptakis(orthophosphate)
Formula	Ag Ca10 O28 P7
Calculated formula	Ag Ca10 O28 P7
SMILES	[Ag](OP(=O)(O)O)(OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Ca+2].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[O-]P(=O)([O-])[O-].[Ca+2].[O-]P(=O)([O-])[O-].[Ca+2].[O-]P(=O)([O-])[O-]
Title of publication	Rietveld refinement of AgCa~10~(PO~4~)~7~ from X-ray powder data
Authors of publication	Strutynska, Nataliya Yu.; Zatovsky, Igor V.; Ogorodnyk, Ivan V.; Slobodyanik, Nikolay S.
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	5
Pages of publication	i23
a	10.43723 ± 0.00005 Å
b	10.43723 ± 0.00005 Å
c	37.3379 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	3522.5 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.038
Goodness-of-fit parameter for all reflections	2.97
Method of determination	powder diffraction
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238071.cif
86785	2013-07-11	cif/ Adding structures of 2238071 via cif-deposit CGI script.	2238071.cif