Crystallography Open Database

Information card for entry 7720334

7720333 << 7720334 >> 7720335

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Coordinates	7720334.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ag Cl Cs I
Calculated formula	Ag Cl Cs I
Title of publication	Realization of the transition from an indirect band gap to a direct band gap through halogen regulation in the Cs-Ag-X system
Authors of publication	Cheng, Bingliang; Ma, Wenjuan; Hu, Cong; Lv, Yuhan; Li, Zongxiao; Zhao, Jianchao; Bo, Tao; Lin, Wenwen
Journal of publication	Dalton Transactions
Year of publication	2026
a	4.8341 ± 0.0004 Å
b	15.6709 ± 0.0013 Å
c	7.643 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	578.99 ± 0.08 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	4
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	0.0241
Residual factor for significantly intense reflections	0.0228
Weighted residual factors for significantly intense reflections	0.0512
Weighted residual factors for all reflections included in the refinement	0.0517
Goodness-of-fit parameter for all reflections included in the refinement	1.0297
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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