Crystallography Open Database

Information card for entry 4104920

Preview

Coordinates	4104920.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C Al O Sc
Calculated formula	C2 Al2 O2 Sc2
Title of publication	Synthesis, Structure, Bonding, and Properties of the Oxide Carbide ScAlOC, a New Type of Compound
Authors of publication	Melanie Schroeder; Harald Hillebrecht
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	12172 - 12179
a	3.2599 ± 0.0007 Å
b	3.2599 ± 0.0007 Å
c	30.116 ± 0.009 Å
α	90°
β	90°
γ	120°
Cell volume	277.16 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0312
Residual factor for significantly intense reflections	0.0212
Weighted residual factors for significantly intense reflections	0.039
Weighted residual factors for all reflections included in the refinement	0.0397
Goodness-of-fit parameter for all reflections included in the refinement	0.853
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4104920.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104920.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104920.cif
30027	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 4104920 via cif-deposit CGI script.	4104920.cif