Crystallography Open Database

Information card for entry 4002218

Preview

Coordinates	4002218.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ni2 P4 Sr
Calculated formula	Ni2 P4 Sr
Title of publication	Twisted Kelvin Cells and Truncated Octahedral Cages in the Crystal Structures of Unconventional Clathrates, AM2P4(A = Sr, Ba; M = Cu, Ni)
Authors of publication	Dolyniuk, Juli-Anna; Wang, Jian; Lee, Kathleen; Kovnir, Kirill
Journal of publication	Chemistry of Materials
Year of publication	2015
Journal volume	27
Journal issue	12
Pages of publication	4476
a	5.1928 ± 0.0002 Å
b	9.5598 ± 0.0004 Å
c	18.9575 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	941.09 ± 0.07 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	3
Space group number	70
Hermann-Mauguin space group symbol	F d d d
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0099
Residual factor for significantly intense reflections	0.0099
Weighted residual factors for significantly intense reflections	0.0264
Weighted residual factors for all reflections included in the refinement	0.0265
Goodness-of-fit parameter for all reflections included in the refinement	1.224
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
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	4002218.cif
139988	2015-07-04	cif/ Adding structures of 4002218 via cif-deposit CGI script.	4002218.cif