Crystallography Open Database

Information card for entry 4321678

Preview

Coordinates	4321678.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	beta-Tricalcium nitrido dialuminate
Formula	Al2 Ca3 N4
Calculated formula	Al2 Ca3 N4
Title of publication	Crystal Structures of Two Polymorphs of Ca3[Al2N4]
Authors of publication	M. Ludwig; J. Jäger; R. Niewa; R. Kniep
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	5909 - 5911
a	5.826 ± 0.003 Å
b	10.691 ± 0.004 Å
c	15.854 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	987.5 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1412
Residual factor for significantly intense reflections	0.0783
Weighted residual factors for significantly intense reflections	0.1677
Weighted residual factors for all reflections included in the refinement	0.221
Goodness-of-fit parameter for all reflections included in the refinement	1.228
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
179319 (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 4/32/16.	4321678.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321678.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321678.cif
19443	2011-05-09	../uploads/cif-deposit/cod/cif Adding structures of 4321678 via cif-deposit CGI script.	4321678.cif