Crystallography Open Database

Information card for entry 4319982

4319981 << 4319982 >> 4319983

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Coordinates	4319982.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba8 Ga16 Sb16
Calculated formula	Ba8 Ga16 Sb16
Title of publication	A Unique Framework in BaGa2Sb2: A New Zintl Phase with Large Tunnels
Authors of publication	Sung-Jin Kim; Mercouri G. Kanatzidis
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	3781 - 3785
a	25.454 ± 0.005 Å
b	4.4421 ± 0.0009 Å
c	10.273 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1161.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0353
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.071
Weighted residual factors for all reflections included in the refinement	0.0745
Goodness-of-fit parameter for all reflections included in the refinement	0.95
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
179279 (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 4/31/99.	4319982.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319982.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319982.cif
16787	2011-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4319982 via cif-deposit CGI script.	4319982.cif