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

Title: Materials Data on In4Te3 by Materials Project

Abstract

In4Te3 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are four inequivalent In+1.50+ sites. In the first In+1.50+ site, In+1.50+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. There are one shorter (2.87 Å) and two longer (2.96 Å) In–Te bond lengths. In the second In+1.50+ site, In+1.50+ is bonded in a distorted square co-planar geometry to four Te2- atoms. There are two shorter (3.05 Å) and two longer (3.61 Å) In–Te bond lengths. In the third In+1.50+ site, In+1.50+ is bonded to five Te2- atoms to form edge-sharing InTe5 square pyramids. There are a spread of In–Te bond distances ranging from 3.23–3.55 Å. In the fourth In+1.50+ site, In+1.50+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. There are two shorter (2.89 Å) and one longer (2.95 Å) In–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to five In+1.50+ atoms. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to five In+1.50+ atoms. In the third Te2- site, Te2- is bonded to five In+1.50+ atoms to form distorted edge-sharing TeIn5 square pyramids.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-617281
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; In4Te3; In-Te
OSTI Identifier:
1277920
DOI:
10.17188/1277920

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on In4Te3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1277920.
Persson, Kristin, & Project, Materials. Materials Data on In4Te3 by Materials Project. United States. doi:10.17188/1277920.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on In4Te3 by Materials Project". United States. doi:10.17188/1277920. https://www.osti.gov/servlets/purl/1277920. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1277920,
title = {Materials Data on In4Te3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {In4Te3 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are four inequivalent In+1.50+ sites. In the first In+1.50+ site, In+1.50+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. There are one shorter (2.87 Å) and two longer (2.96 Å) In–Te bond lengths. In the second In+1.50+ site, In+1.50+ is bonded in a distorted square co-planar geometry to four Te2- atoms. There are two shorter (3.05 Å) and two longer (3.61 Å) In–Te bond lengths. In the third In+1.50+ site, In+1.50+ is bonded to five Te2- atoms to form edge-sharing InTe5 square pyramids. There are a spread of In–Te bond distances ranging from 3.23–3.55 Å. In the fourth In+1.50+ site, In+1.50+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. There are two shorter (2.89 Å) and one longer (2.95 Å) In–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to five In+1.50+ atoms. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to five In+1.50+ atoms. In the third Te2- site, Te2- is bonded to five In+1.50+ atoms to form distorted edge-sharing TeIn5 square pyramids.},
doi = {10.17188/1277920},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: