Crystallography Open Database

Information card for entry 8102971

Preview

Coordinates	8102971.cif

Structure parameters

Common name	barium tetracalcium bis[dinitridocobaltate(I)]
Chemical name	barium tetracalcium bis[dinitridocobaltate(I)]
Formula	Ba0.5 Ca2 Co N2
Calculated formula	Ba0.5 Ca2 Co N2
Title of publication	Crystal structure of barium tetracalcium bis(dinitridocobaltate(I)), BaCa~4~[CoN~2~]~2~
Authors of publication	Bendyna, Joanna K.; Höhn, Peter; Prots, Yurii; Kniep, Rüdiger
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2007
Journal volume	222
Journal issue	3
Pages of publication	167 - 168
a	8.3422 ± 0.0003 Å
b	8.3422 ± 0.0003 Å
c	12.2201 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	850.42 ± 0.07 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	130
Hermann-Mauguin space group symbol	P 4/n c c :2
Hall space group symbol	-P 4a 2ac
Residual factor for all reflections	0.0261
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0483
Weighted residual factors for all reflections included in the refinement	0.0484
Goodness-of-fit parameter for all reflections included in the refinement	1.398
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176466 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102971.cif
108388	2014-03-31	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8102971.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102971.cif
13710	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102971 via cif-deposit CGI script.	8102971.cif