Crystallography Open Database

Information card for entry 7063440

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Coordinates	7063440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba Se3
Calculated formula	Ba Se3
Title of publication	A low-temperature solution route for the synthesis of single crystals of BaSe3 and its photovoltaic study
Authors of publication	Srivastava, Komal; Ray, Akshay K.; Yadav, Sweta; Deepa, Melepurath; Prakash, Jai
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	38
Pages of publication	16869 - 16876
a	7.2871 ± 0.0003 Å
b	7.2871 ± 0.0003 Å
c	4.2516 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	225.77 ± 0.02 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	2
Space group number	113
Hermann-Mauguin space group symbol	P -4 21 m
Hall space group symbol	P -4 2ab
Residual factor for all reflections	0.0149
Residual factor for significantly intense reflections	0.0139
Weighted residual factors for significantly intense reflections	0.0324
Weighted residual factors for all reflections included in the refinement	0.0329
Goodness-of-fit parameter for all reflections included in the refinement	1.154
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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