Crystallography Open Database

Information card for entry 4329701

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Coordinates	4329701.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ca5.95 Mn Sb11 Yb8.05
Calculated formula	Ca5.952 Mn Sb11 Yb8.048
Title of publication	Enhanced High-Temperature Thermoelectric Performance of Yb14-xCaxMnSb11
Authors of publication	Catherine A. Uvarov; Francisco Ortega-Alvarez; Susan M. Kauzlarich
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	7617 - 7624
a	16.5888 ± 0.0012 Å
b	16.5888 ± 0.0012 Å
c	22.0682 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	6072.9 ± 0.8 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d :2
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.0706
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0677
Weighted residual factors for all reflections included in the refinement	0.0814
Goodness-of-fit parameter for all reflections included in the refinement	1.169
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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