Crystallography Open Database

Information card for entry 4324839

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Coordinates	4324839.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B2 Ir2.07 Ru2.93 Ti3
Calculated formula	B2 Ir2.08 Ru2.92 Ti3
Title of publication	Complete Titanium Substitution by Boron in a tetragonal Prism: Exploring the Complex Boride Series Ti3-xRu5-yIryB2+x (0 <=x<= 1 and 1 < y <3) by Experiment and Theory
Authors of publication	Boniface P. T. Fokwa; Martin Hermus
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	3332 - 3341
a	9.236 ± 0.005 Å
b	9.236 ± 0.005 Å
c	2.9719 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	253.5 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	127
Hermann-Mauguin space group symbol	P 4/m b m
Hall space group symbol	-P 4 2ab
Residual factor for all reflections	0.0942
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.117
Weighted residual factors for all reflections included in the refinement	0.1284
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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