Crystallography Open Database

Information card for entry 4134532

Preview

Coordinates	4134532.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	In8 Ir2 Se
Calculated formula	In8 Ir2 Se
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 ± 0.0006 Å
b	9.9262 ± 0.0006 Å
c	10.1092 ± 0.0006 Å
α	90°
β	90°
γ	89.9995°
Cell volume	995.43 ± 0.1 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	3
Space group number	6
Hermann-Mauguin space group symbol	P 1 1 m
Hall space group symbol	P -2
Residual factor for all reflections	0.0749
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1085
Weighted residual factors for all reflections included in the refinement	0.1101
Goodness-of-fit parameter for significantly intense reflections	3.32
Goodness-of-fit parameter for all reflections included in the refinement	2.45
Diffraction radiation probe	x-ray
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.	4134532.cif
249666	2020-03-25	cif/ Adding structures of 4134532 via cif-deposit CGI script.	4134532.cif