Crystallography Open Database

Information card for entry 4342097

4342096 << 4342097 >> 4342098

Preview

Coordinates	4342097.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H41 Mo10 O76 P V2
Calculated formula	Mo9.9996 O76 P V2.0004
Title of publication	Solid-State Crystal-to-Crystal Phase Transitions and Reversible Structure-Temperature Behavior of Phosphovanadomolybdic Acid, H5PV2Mo10O40.
Authors of publication	Barats-Damatov, Delina; Shimon, Linda J. W.; Feldman, Yishay; Bendikov, Tatyana; Neumann, Ronny
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	2
Pages of publication	628 - 634
a	12.748 ± 0.003 Å
b	12.745 ± 0.003 Å
c	18.027 ± 0.004 Å
α	90°
β	90.06 ± 0.03°
γ	90°
Cell volume	2928.9 ± 1.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0822
Residual factor for significantly intense reflections	0.0678
Weighted residual factors for significantly intense reflections	0.1861
Weighted residual factors for all reflections included in the refinement	0.2053
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179523 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/20.	4342097.cif
130495	2015-02-04	cif/ Updating files of 4342097, 4342098, 4342099, 4342100, 4342101 Original log message: Adding full bibliography for 4342097--4342101.cif.	4342097.cif
129803	2015-01-17	cif/ Adding structures of 4342097 via cif-deposit CGI script.	4342097.cif