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Title: Materials Data on In3SbTe2 by Materials Project

Abstract

In3Sb1Te2 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent In+2.33+ sites. In the first In+2.33+ site, In+2.33+ is bonded to two equivalent Sb3- and four equivalent Te2- atoms to form a mixture of edge and corner-sharing InSb2Te4 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. Both In–Sb bond lengths are 3.13 Å. All In–Te bond lengths are 3.16 Å. In the second In+2.33+ site, In+2.33+ is bonded to two equivalent Sb3- and four equivalent Te2- atoms to form a mixture of edge and corner-sharing InSb2Te4 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. Both In–Sb bond lengths are 3.07 Å. All In–Te bond lengths are 3.13 Å. Sb3- is bonded to six In+2.33+ atoms to form SbIn6 octahedra that share corners with two equivalent SbIn6 octahedra, corners with four equivalent TeIn6 octahedra, edges with two equivalent SbIn6 octahedra, and edges with ten equivalent TeIn6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. Te2- is bonded to six In+2.33+ atoms to form TeIn6 octahedra that share corners with two equivalent SbIn6 octahedra, corners with four equivalent TeIn6 octahedra, edges with five equivalent SbIn6 octahedra, and edges withmore » seven equivalent TeIn6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°.« less

Authors:
Publication Date:
Other Number(s):
mp-1223976
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; In3SbTe2; In-Sb-Te
OSTI Identifier:
1732578
DOI:
https://doi.org/10.17188/1732578

Citation Formats

The Materials Project. Materials Data on In3SbTe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1732578.
The Materials Project. Materials Data on In3SbTe2 by Materials Project. United States. doi:https://doi.org/10.17188/1732578
The Materials Project. 2020. "Materials Data on In3SbTe2 by Materials Project". United States. doi:https://doi.org/10.17188/1732578. https://www.osti.gov/servlets/purl/1732578. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1732578,
title = {Materials Data on In3SbTe2 by Materials Project},
author = {The Materials Project},
abstractNote = {In3Sb1Te2 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent In+2.33+ sites. In the first In+2.33+ site, In+2.33+ is bonded to two equivalent Sb3- and four equivalent Te2- atoms to form a mixture of edge and corner-sharing InSb2Te4 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. Both In–Sb bond lengths are 3.13 Å. All In–Te bond lengths are 3.16 Å. In the second In+2.33+ site, In+2.33+ is bonded to two equivalent Sb3- and four equivalent Te2- atoms to form a mixture of edge and corner-sharing InSb2Te4 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. Both In–Sb bond lengths are 3.07 Å. All In–Te bond lengths are 3.13 Å. Sb3- is bonded to six In+2.33+ atoms to form SbIn6 octahedra that share corners with two equivalent SbIn6 octahedra, corners with four equivalent TeIn6 octahedra, edges with two equivalent SbIn6 octahedra, and edges with ten equivalent TeIn6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. Te2- is bonded to six In+2.33+ atoms to form TeIn6 octahedra that share corners with two equivalent SbIn6 octahedra, corners with four equivalent TeIn6 octahedra, edges with five equivalent SbIn6 octahedra, and edges with seven equivalent TeIn6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°.},
doi = {10.17188/1732578},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}