Crystallography Open Database

Information card for entry 4326252

Preview

Coordinates	4326252.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Mo0.5 O7.25 V1.5 Zr
Calculated formula	Mo0.5 O7.26 V1.5 Zr
Title of publication	Synthesis, Structure, Negative Thermal Expansion, and Photocatalytic Property of Mo Doped ZrV2O7
Authors of publication	Prangya Parimita Sahoo; S. Sumithra; Giridhar Madras; T. N. Guru Row
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	8774 - 8781
a	8.9004 ± 0.0005 Å
b	8.9004 ± 0.0005 Å
c	8.9004 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	705.06 ± 0.07 Å³
Cell temperature	400 ± 2 K
Ambient diffraction temperature	400 ± 2 K
Number of distinct elements	4
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0449
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0532
Weighted residual factors for all reflections included in the refinement	0.0553
Goodness-of-fit parameter for all reflections included in the refinement	0.943
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4326252.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326252.cif
47305	2012-03-23	../uploads/cif-deposit/cod/cif Adding structures of 4326252 via cif-deposit CGI script.	4326252.cif