Crystallography Open Database

Information card for entry 4337511

Preview

Coordinates	4337511.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Br12 F148 K60 Mo36 O58.32
Calculated formula	Br12 F148 K60 Mo36 O58.32
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	19.7095 ± 0.0005 Å
b	34.1319 ± 0.0008 Å
c	7.7539 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	5216.2 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.98 K
Number of distinct elements	5
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.1078
Residual factor for significantly intense reflections	0.0989
Weighted residual factors for significantly intense reflections	0.2748
Weighted residual factors for all reflections included in the refinement	0.2818
Goodness-of-fit parameter for all reflections included in the refinement	1.128
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.	4337511.cif
106433	2014-03-15	cif/ Adding structures of 4337511 via cif-deposit CGI script.	4337511.cif