Crystallography Open Database

Information card for entry 4332843

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Coordinates	4332843.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As2 K3 Nd S8
Calculated formula	As2 K3 Nd S8
Title of publication	K3Ln(AsS4)2(Ln = Nd, Sm, Gd): the First Rare Earth Thioarsenate Compounds with Infinite Straight Chains
Authors of publication	Wu, Yuandong; Näther, Christian; Bensch, Wolfgang
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	22
Pages of publication	8835 - 8837
a	10.3736 ± 0.0008 Å
b	18.8768 ± 0.0013 Å
c	8.8393 ± 0.0007 Å
α	90°
β	116.878 ± 0.008°
γ	90°
Cell volume	1543.9 ± 0.2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0374
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0655
Weighted residual factors for all reflections included in the refinement	0.0682
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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