Crystallography Open Database

Information card for entry 4134533

Preview

Coordinates	4134533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	In8 Ir2 S
Calculated formula	In8 Ir2 S
Title of publication	The Subchalcogenides Ir<sub>2</sub>In<sub>8</sub>Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation.
Authors of publication	Khoury, Jason F.; Rettie, Alexander J. E.; Robredo, Iñigo; Krogstad, Matthew J.; Malliakas, Christos D.; Bergara, Aitor; Vergniory, Maia G.; Osborn, Raymond; Rosenkranz, Stephan; Chung, Duck Young; Kanatzidis, Mercouri G.
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	13
Pages of publication	6312 - 6323
a	9.92 ± 0.0014 Å
b	9.92 ± 0.0014 Å
c	10.14 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	997.8 ± 0.3 Å³
Cell temperature	299 K
Ambient diffraction temperature	299 K
Number of distinct elements	3
Space group number	136
Hermann-Mauguin space group symbol	P 42/m n m
Hall space group symbol	-P 4n 2n
Residual factor for all reflections	0.0224
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.0463
Weighted residual factors for all reflections included in the refinement	0.0465
Goodness-of-fit parameter for all reflections included in the refinement	1.162
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
250060 (current)	2020-04-04	cif/ Updating files of 4134530, 4134531, 4134532, 4134533, 4134534 Original log message: Adding full bibliography for 4134530--4134534.cif.	4134533.cif
249667	2020-03-25	cif/ Adding structures of 4134533 via cif-deposit CGI script.	4134533.cif