Crystallography Open Database

Information card for entry 4002175

Preview

Coordinates	4002175.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B3 Nb3 Ru3
Calculated formula	B3 Nb3 Ru3
Title of publication	Fragment-Based Design of NbRuB as a New Metal-Rich Boride Superconductor
Authors of publication	Xie, Weiwei; Luo, Huixia; Baroudi, Kristen; Krizan, Jason W.; Phelan, Brendan F.; Cava, Robert J.
Journal of publication	Chemistry of Materials
Year of publication	2015
Journal volume	27
Journal issue	4
Pages of publication	1149
a	10.8672 ± 0.0011 Å
b	3.1543 ± 0.0003 Å
c	6.35 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	217.67 ± 0.04 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	51
Hermann-Mauguin space group symbol	P m m a
Hall space group symbol	-P 2a 2a
Residual factor for all reflections	0.0135
Residual factor for significantly intense reflections	0.0115
Weighted residual factors for significantly intense reflections	0.0199
Weighted residual factors for all reflections included in the refinement	0.0203
Goodness-of-fit parameter for all reflections included in the refinement	1.141
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.	4002175.cif
132773	2015-03-04	cif/ Updating files of 4002175 Original log message: Adding full bibliography for 4002175.cif.	4002175.cif
131282	2015-02-07	cif/ Adding structures of 4002175 via cif-deposit CGI script.	4002175.cif