Crystallography Open Database

Information card for entry 4002147

Preview

Coordinates	4002147.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al Ca2 Pt2
Calculated formula	Al Ca2 Pt2
Title of publication	Linear Metal Chains in Ca2M2X (M = Pd, Pt; X = Al, Ge): Origin of the Pairwise Distortion and Its Role in the Structure Stability
Authors of publication	Doverbratt, Isa; Ponou, Siméon; Zhang, Yuemei; Lidin, Sven; Miller, Gordon J.
Journal of publication	Chemistry of Materials
Year of publication	2015
Journal volume	27
Journal issue	1
Pages of publication	304
a	9.804 ± 0.0008 Å
b	5.7411 ± 0.0005 Å
c	7.7307 ± 0.0007 Å
α	90°
β	101.889 ± 0.007°
γ	90°
Cell volume	425.79 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0329
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0715
Weighted residual factors for all reflections included in the refinement	0.073
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4002147.cif
130485	2015-02-04	cif/ Updating files of 4002144, 4002145, 4002146, 4002147 Original log message: Adding full bibliography for 4002144--4002147.cif.	4002147.cif
129143	2014-12-30	cif/ Adding structures of 4002144, 4002145, 4002146, 4002147 via cif-deposit CGI script.	4002147.cif