Crystallography Open Database

Information card for entry 1572602

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Coordinates	1572602.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cs2InP2S7
Formula	Ba0 Cl0 Cs4 In2 P4 S14
Calculated formula	Cs4 In2 P4 S14
Title of publication	Reconstructing Nearly Isotropic Microstructures to Construct One-dimensional Framework Causing the Record Birefringence in Thiophosphates
Authors of publication	Jiang, Lin-Tao; Jiang, Xiao-Ming; fan, yuhang; Liu, Bin-Wen; Guo, Guo-Cong
Journal of publication	Chemical Science
Year of publication	2024
a	10.9132 ± 0.0005 Å
b	13.1589 ± 0.0004 Å
c	10.964 ± 0.0005 Å
α	90°
β	119.511 ± 0.006°
γ	90°
Cell volume	1370.22 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0385
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0955
Weighted residual factors for all reflections included in the refinement	0.0972
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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