Crystallography Open Database

Information card for entry 1546881

Preview

Coordinates	1546881.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ag3 I3 Mo2 O12
Calculated formula	Ag3 I3 Mo2 O12
Title of publication	Ag <sub>3</sub> I[(MoO <sub>3</sub> ) <sub>2</sub> (IO <sub>3</sub> ) <sub>2</sub> ]: a new polar material synthesized from the structural modulation of molybdenyl iodate architectures by polarizable cation (Ag <sup>+</sup> ) and anion (I <sup>−</sup> )
Authors of publication	Meng, Chang-Yu; Zhang, Pei; Wang, Rong-Fang; Geng, Lei
Journal of publication	Dalton Transactions
Year of publication	2017
Journal volume	46
Journal issue	36
Pages of publication	12320 - 12327
a	8.0072 ± 0.0002 Å
b	21.2678 ± 0.0006 Å
c	7.3241 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1247.26 ± 0.06 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0186
Residual factor for significantly intense reflections	0.018
Weighted residual factors for significantly intense reflections	0.0384
Weighted residual factors for all reflections included in the refinement	0.0387
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
282777 (current)	2023-04-20	cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M.	1546881.cif
199976	2017-08-29	cif/ Adding structures of 1546881 via cif-deposit CGI script.	1546881.cif