Crystallography Open Database

Information card for entry 4115915

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Coordinates	4115915.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Sb7 Ti3.84 Zr3.16
Calculated formula	Sb7 Ti3.848 Zr3.152
Title of publication	Zr1-xTixSb: A Novel Antimonide on the Quasibinary Section ZrSb-TiSb with a Complex Crystal Structure Exhibiting Linear Sb Chains and Fragments of the TiSb Structure
Authors of publication	Holger Kleinke
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	853 - 860
a	24.558 ± 0.002 Å
b	8.5206 ± 0.0009 Å
c	5.6669 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1185.79 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0496
Residual factor for significantly intense reflections	0.029
Weighted residual factors for all reflections	0.06
Weighted residual factors for significantly intense reflections	0.0579
Goodness-of-fit parameter for all reflections	0.769
Goodness-of-fit parameter for significantly intense reflections	0.932
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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