Crystallography Open Database

Information card for entry 4337513

Preview

Coordinates	4337513.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	F21 I2 K10 Mo6 O12
Calculated formula	F21 I1.9991 K10 Mo6 O12
Title of publication	Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials.
Authors of publication	Holland, Michael; Donakowski, Martin D.; Pozzi, Eric A.; Rasmussen, Andrew M.; Tran, Thanh Thao; Pease-Dodson, Shannon E; Halasyamani, P. Shiv; Seideman, Tamar; Van Duyne, Richard P.; Poeppelmeier, Kenneth R.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	1
Pages of publication	221 - 228
a	20.072 ± 0.0008 Å
b	7.7549 ± 0.0003 Å
c	11.4644 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1784.51 ± 0.12 Å³
Cell temperature	99.97 K
Ambient diffraction temperature	99.97 K
Number of distinct elements	5
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Residual factor for all reflections	0.047
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.1152
Weighted residual factors for all reflections included in the refinement	0.1186
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
179478 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/75.	4337513.cif
106437	2014-03-15	cif/ Adding structures of 4337513 via cif-deposit CGI script.	4337513.cif