Crystallography Open Database

Information card for entry 4316718

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Coordinates	4316718.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba Ga4 Se7
Calculated formula	Ba Ga4 Se7
Title of publication	BaGa4Se7: A New Congruent-Melting IR Nonlinear Optical Material
Authors of publication	Jiyong Yao; Dajiang Mei; Lei Bai; Zheshuai Lin; Wenlong Yin; Peizhen Fu; Yicheng Wu
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	9212 - 9216
a	7.6252 ± 0.0015 Å
b	6.5114 ± 0.0013 Å
c	14.702 ± 0.004 Å
α	90°
β	121.24 ± 0.02°
γ	90°
Cell volume	624.1 ± 0.3 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 K
Number of distinct elements	3
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.029
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.0528
Weighted residual factors for all reflections included in the refinement	0.0532
Goodness-of-fit parameter for all reflections included in the refinement	0.976
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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