DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on In3Te4 by Materials Project

Abstract

In3Te4 is MAX Phase-derived structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three In3Te4 sheets oriented in the (0, 0, 1) direction. there are two inequivalent In+2.67+ sites. In the first In+2.67+ site, In+2.67+ is bonded to six equivalent Te2- atoms to form a mixture of edge and corner-sharing InTe6 octahedra. The corner-sharing octahedral tilt angles are 5°. All In–Te bond lengths are 3.07 Å. In the second In+2.67+ site, In+2.67+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing InTe6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are three shorter (2.91 Å) and three longer (3.27 Å) In–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to six In+2.67+ atoms to form a mixture of edge and corner-sharing TeIn6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent In+2.67+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-541885
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; In3Te4; In-Te
OSTI Identifier:
1266300
DOI:
https://doi.org/10.17188/1266300

Citation Formats

The Materials Project. Materials Data on In3Te4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266300.
The Materials Project. Materials Data on In3Te4 by Materials Project. United States. doi:https://doi.org/10.17188/1266300
The Materials Project. 2020. "Materials Data on In3Te4 by Materials Project". United States. doi:https://doi.org/10.17188/1266300. https://www.osti.gov/servlets/purl/1266300. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1266300,
title = {Materials Data on In3Te4 by Materials Project},
author = {The Materials Project},
abstractNote = {In3Te4 is MAX Phase-derived structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three In3Te4 sheets oriented in the (0, 0, 1) direction. there are two inequivalent In+2.67+ sites. In the first In+2.67+ site, In+2.67+ is bonded to six equivalent Te2- atoms to form a mixture of edge and corner-sharing InTe6 octahedra. The corner-sharing octahedral tilt angles are 5°. All In–Te bond lengths are 3.07 Å. In the second In+2.67+ site, In+2.67+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing InTe6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are three shorter (2.91 Å) and three longer (3.27 Å) In–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to six In+2.67+ atoms to form a mixture of edge and corner-sharing TeIn6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent In+2.67+ atoms.},
doi = {10.17188/1266300},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}