Crystallography Open Database

Information card for entry 1529416

Preview

Coordinates	1529416.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	F5 H12 N3 O2 Ti
Calculated formula	F4.99758 H12.0019 N3.00048 O2.0004 Ti
Title of publication	Heat capacity, structural disorder, and the phase transition in cryolite (NH4)3Ti(O2)F5
Authors of publication	I.N. Flerov; M.V. Gorev; V.D. Fokina; M.S. Molokeev; A.D. Vasiliev; A.F. Bovina; N.M. Laptash
Journal of publication	Physics of the Solid State
Year of publication	2006
Journal volume	48
Journal issue	8
Pages of publication	1559 - 1567
a	9.23676 ± 0.00018 Å
b	9.23676 ± 0.00018 Å
c	9.23676 ± 0.00018 Å
α	90°
β	90°
γ	90°
Cell volume	788.06 ± 0.03 Å³
Number of distinct elements	5
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor R(I) for significantly intense reflections	5.8644
Method of determination	powder diffraction
Diffraction radiation type	X-ray
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.	1529416.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1529416.cif
153546	2015-08-20	cif/ Adding structures of 1529416 via cif-deposit CGI script.	1529416.cif