Crystallography Open Database

Information card for entry 4341202

Preview

Coordinates	4341202.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ga4.964 Mo0.076 Ta3.942
Calculated formula	Ga4.964 Mo0.0756 Ta3.9424
Title of publication	Homoatomic Clustering in T4Ga5 (T = Ta, Nb, Ta/Mo): A Story of Reluctant Intermetallics Crystallizing in a New Binary Structure Type.
Authors of publication	Fredrickson, Rie T.; Kilduff, Brandon J.; Fredrickson, Daniel C.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	3
Pages of publication	821 - 831
a	11.78 ± 0.0001 Å
b	11.78 ± 0.0001 Å
c	16.9547 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2352.78 ± 0.04 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
Space group number	136
Hermann-Mauguin space group symbol	P 42/m n m
Hall space group symbol	-P 4n 2n
Residual factor for all reflections	0.0223
Residual factor for significantly intense reflections	0.02
Weighted residual factors for significantly intense reflections	0.0656
Weighted residual factors for all reflections included in the refinement	0.0787
Goodness-of-fit parameter for significantly intense reflections	2.29
Goodness-of-fit parameter for all reflections included in the refinement	2.68
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179515 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/12.	4341202.cif
130567	2015-02-04	cif/ Updating files of 4341200, 4341201, 4341202 Original log message: Adding full bibliography for 4341200--4341202.cif.	4341202.cif
124975	2014-10-07	cif/ Adding structures of 4341202 via cif-deposit CGI script.	4341202.cif