Crystallography Open Database

Information card for entry 7719261

7719260 << 7719261 >> 7719262

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Coordinates	7719261.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba3 Se7 Sn2
Calculated formula	Ba2.9999 Se7 Sn2
Title of publication	Two ternary chalcostannates Ba<sub>3</sub>Sn<sub>2</sub><i>Q</i><sub>7</sub> (<i>Q</i> = S and Se): syntheses, crystal structures, and photovoltaic studies.
Authors of publication	Swati, ?; Ray, Akshay K.; Yadav, Sweta; Ramesh, Mamindla; Barman, Sayani; Deepa, Melepurath; Niranjan, Manish K.; Prakash, Jai
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	34
Pages of publication	12890 - 12901
a	11.4601 ± 0.0004 Å
b	6.9335 ± 0.0002 Å
c	19.5943 ± 0.0008 Å
α	90°
β	101.219 ± 0.002°
γ	90°
Cell volume	1527.18 ± 0.09 Å³
Cell temperature	172 ± 2 K
Ambient diffraction temperature	172 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0502
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0512
Weighted residual factors for all reflections included in the refinement	0.0563
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
302682 (current)	2025-10-06	cif/ Updating files of 7719261, 7719262, 7719263 Original log message: Adding full bibliography for 7719261--7719263.cif.	7719261.cif
301710	2025-08-12	cif/ Adding structures of 7719261, 7719262, 7719263 via cif-deposit CGI script.	7719261.cif