Crystallography Open Database

Information card for entry 7234458

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Coordinates	7234458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ag As8 Ba4 Ga5
Calculated formula	Ag As8 Ba4 Ga5
Title of publication	Ba4AgGa5Pn8 (Pn = P, As): new pnictide-based compounds with nonlinear optical potential
Authors of publication	Ming-yan Pan; Zu-ju Ma; Xiao-cun Liu; Sheng-qing Xia; Xu-tang Tao; Ke-chen Wu
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	9695 - 9700
a	7.4769 ± 0.0008 Å
b	18.5766 ± 0.0019 Å
c	6.759 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	938.79 ± 0.17 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	45
Hermann-Mauguin space group symbol	I b a 2
Hall space group symbol	I 2 -2c
Residual factor for all reflections	0.0213
Residual factor for significantly intense reflections	0.0207
Weighted residual factors for significantly intense reflections	0.0496
Weighted residual factors for all reflections included in the refinement	0.0499
Goodness-of-fit parameter for all reflections included in the refinement	1.172
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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