Crystallography Open Database

Information card for entry 4508593

Preview

Coordinates	4508593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cr Li O7 P2
Calculated formula	Cr Li O7 P2
Title of publication	Top-Seeded Single-Crystal Growth, Structure, and Physical Properties of Polar LiCrP2O7
Authors of publication	Pachoud, Elise; Zhang, Weiguo; Tapp, Joshua; Liang, Kao-Chen; Lorenz, Bernd; Chu, Paul C. W.; Halasyamani, P. Shiv
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	12
Pages of publication	5473
a	4.7867 ± 0.0007 Å
b	8.0049 ± 0.0011 Å
c	6.9093 ± 0.001 Å
α	90°
β	109.003 ± 0.002°
γ	90°
Cell volume	250.32 ± 0.06 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0178
Residual factor for significantly intense reflections	0.0177
Weighted residual factors for significantly intense reflections	0.0498
Weighted residual factors for all reflections included in the refinement	0.0499
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
179621 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/85.	4508593.cif
91627	2013-12-13	cif/ Adding structures of 4508593 via cif-deposit CGI script.	4508593.cif