Crystallography Open Database

Information card for entry 4316777

Preview

Coordinates	4316777.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	hexagonal Molybdenum Oxide
Formula	H7.38 Mo5.16 N0.78 O18
Calculated formula	Mo5.136 N0.86 O18.54
Title of publication	"Hexagonal Molybdenum Trioxide"-Known for 100 Years and Still a Fount of New Discoveries
Authors of publication	Hans-Joachim Lunk; Hans Hartl; Monika A. Hartl; Martin J. G. Fait; Ilya G. Shenderovich; Michael Feist; Timothy A. Frisk; Luke L. Daemen; Daniel Mauder; Reinhard Eckelt; Andrey A. Gurinov
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	9400 - 9408
a	10.527 ± 0.001 Å
b	10.527 ± 0.001 Å
c	3.7245 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	357.44 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0238
Residual factor for significantly intense reflections	0.0203
Weighted residual factors for significantly intense reflections	0.0511
Weighted residual factors for all reflections included in the refinement	0.0526
Goodness-of-fit parameter for all reflections included in the refinement	1.243
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
179247 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/67.	4316777.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316777.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316777.cif
10283	2011-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4316777 via cif-deposit CGI script.	4316777.cif