Crystallography Open Database

Information card for entry 2002960

2002959 << 2002960 >> 2002961

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Coordinates	2002960.cif
Original IUCr paper	HTML

Structure parameters

Formula	Co1.26 Fe2.74 La0.743 Sb12
Calculated formula	Co1.256 Fe2.744 La0.743 Sb12
Title of publication	Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior
Authors of publication	Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle
Journal of publication	Acta Crystallographica Section B
Year of publication	1999
Journal volume	55
Journal issue	3
Pages of publication	341 - 347
a	9.0771 ± 0.0004 Å
b	9.0771 ± 0.0004 Å
c	9.0771 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	747.9 ± 0.06 Å³
Cell temperature	25 K
Ambient diffraction temperature	25 K
Number of distinct elements	4
Space group number	204
Hermann-Mauguin space group symbol	I m -3
Hall space group symbol	-I 2 2 3
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.036
Goodness-of-fit parameter for all reflections	1.39
Goodness-of-fit parameter for significantly intense reflections	1.932
Diffraction radiation probe	neutron
Diffraction radiation wavelength	0.8387 Å
Diffraction radiation type	neutron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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