Crystallography Open Database

Information card for entry 4328448

Preview

Coordinates	4328448.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba O7 Te2 Zn
Calculated formula	Ba O7 Te2 Zn
Title of publication	Two New Noncentrosymmetric (NCS) Polar Oxides: Syntheses, Characterization, and Structure-Property Relationships in BaMTe2O7 (M = Mg2+ or Zn2+)
Authors of publication	Jeongho Yeon; Sang-Hwan Kim; Sau Doan Nguyen; Hana Lee; P. Shiv Halasyamani
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	2662 - 2668
a	5.5498 ± 0.0004 Å
b	15.3161 ± 0.0011 Å
c	7.3098 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	621.34 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	40
Hermann-Mauguin space group symbol	A m a 2
Hall space group symbol	A 2 -2a
Residual factor for all reflections	0.0165
Residual factor for significantly intense reflections	0.0163
Weighted residual factors for significantly intense reflections	0.0457
Weighted residual factors for all reflections included in the refinement	0.0459
Goodness-of-fit parameter for all reflections included in the refinement	1.161
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
179387 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/84.	4328448.cif
77414	2013-03-26	cif/ Adding structures of 4328448 via cif-deposit CGI script.	4328448.cif