Crystallography Open Database

Information card for entry 8103059

Preview

Coordinates	8103059.cif

Structure parameters

Chemical name	Calcium Tin Phosphate(V)(0.5/2/3)
Formula	Ca0.5 O12 P3 Sn2
Calculated formula	Ca0.5 O12 P3 Sn2
Title of publication	Crystal structure of calcium tin phosphate(V), CaSn4(PO4)6
Authors of publication	Dan Zhao; Feifei Li; Aiyun Zhang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	4
Pages of publication	627
a	8.3601 ± 0.0012 Å
b	8.3601 ± 0.0012 Å
c	22.722 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	1375.3 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0167
Residual factor for significantly intense reflections	0.0157
Weighted residual factors for significantly intense reflections	0.0393
Weighted residual factors for all reflections included in the refinement	0.0398
Goodness-of-fit parameter for all reflections included in the refinement	1.17
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
176466 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103059.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103059.cif
13798	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8103059 via cif-deposit CGI script.	8103059.cif