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

Title: Materials Data on InTeCl by Materials Project

Abstract

InTeCl crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to three Te2- and one Cl1- atom to form distorted edge-sharing InTe3Cl tetrahedra. There are a spread of In–Te bond distances ranging from 2.83–2.89 Å. The In–Cl bond length is 2.43 Å. In the second In3+ site, In3+ is bonded in a 1-coordinate geometry to three Te2- and two equivalent Cl1- atoms. There are a spread of In–Te bond distances ranging from 2.83–2.94 Å. There are one shorter (2.43 Å) and one longer (3.27 Å) In–Cl bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three In3+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to three In3+ and one Cl1- atom. The Te–Cl bond length is 3.70 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent In3+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one In3+ and one Te2- atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-504630
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; InTeCl; Cl-In-Te
OSTI Identifier:
1261887
DOI:
10.17188/1261887

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on InTeCl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1261887.
Persson, Kristin, & Project, Materials. Materials Data on InTeCl by Materials Project. United States. doi:10.17188/1261887.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on InTeCl by Materials Project". United States. doi:10.17188/1261887. https://www.osti.gov/servlets/purl/1261887. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1261887,
title = {Materials Data on InTeCl by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {InTeCl crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to three Te2- and one Cl1- atom to form distorted edge-sharing InTe3Cl tetrahedra. There are a spread of In–Te bond distances ranging from 2.83–2.89 Å. The In–Cl bond length is 2.43 Å. In the second In3+ site, In3+ is bonded in a 1-coordinate geometry to three Te2- and two equivalent Cl1- atoms. There are a spread of In–Te bond distances ranging from 2.83–2.94 Å. There are one shorter (2.43 Å) and one longer (3.27 Å) In–Cl bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three In3+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to three In3+ and one Cl1- atom. The Te–Cl bond length is 3.70 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent In3+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one In3+ and one Te2- atom.},
doi = {10.17188/1261887},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: