Crystallography Open Database

Information card for entry 1560583

Preview

Coordinates	1560583.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ag0.22 Ba0.5 S1.33 Sn0.36
Calculated formula	Ag0.22 Ba0.5 S1.33333 Sn0.360833
Title of publication	Second harmonic generation response of the cubic chalcogenides Ba(6−x)Srx[Ag(4−y)Sn(y/4)](SnS4)4
Authors of publication	Haynes, Alyssa S.; Liu, Te-Kun; Frazer, Laszlo; Lin, Jyun-Fan; Wang, Shuo-Yu; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang
Journal of publication	Journal of Solid State Chemistry
Year of publication	2017
Journal volume	248
Pages of publication	119 - 125
a	14.7432 ± 0.0002 Å
b	14.7432 ± 0.0002 Å
c	14.7432 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3204.61 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	220
Hermann-Mauguin space group symbol	I -4 3 d
Hall space group symbol	I -4bd 2c 3
Residual factor for all reflections	0.023
Residual factor for significantly intense reflections	0.0228
Weighted residual factors for significantly intense reflections	0.0578
Weighted residual factors for all reflections included in the refinement	0.058
Goodness-of-fit parameter for all reflections included in the refinement	1.148
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
262159 (current)	2021-02-23	cif/ Adding structures of 1560583, 1560584, 1560585, 1560586, 1560587 via cif-deposit CGI script.	1560583.cif