Crystallography Open Database

Information card for entry 4309585

Preview

Coordinates	4309585.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba6 In4.78 N2.72
Calculated formula	Ba6 In4.778 N2.72
Title of publication	The Indium Subnitrides Ae6In4(InxLiy)N3-z (Ae = Sr and Ba)
Authors of publication	Mark S. Bailey; Daniel Y. Shen; Michael A. McGuire; Daniel C. Fredrickson; Brian H. Toby; Francis J. DiSalvo; Hisanori Yamane; Shinya Sasaki; Masahiko Shimada
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	6680 - 6690
a	15.2165 ± 0.0014 Å
b	15.2165 ± 0.0014 Å
c	15.2165 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	3523.3 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m :2
Hall space group symbol	-F 4vw 2vw 3
Residual factor for all reflections	0.0291
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for significantly intense reflections	0.053
Weighted residual factors for all reflections included in the refinement	0.0545
Goodness-of-fit parameter for all reflections included in the refinement	1.181
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
179133 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/95.	4309585.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309585.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309585.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309585.cif