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Title: Materials Data on Cu2SnTe3 by Materials Project

Abstract

Cu2SnTe3 is Enargite-like structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Cu1+ is bonded to four Te2- atoms to form CuTe4 tetrahedra that share corners with five equivalent SnTe4 tetrahedra and corners with seven equivalent CuTe4 tetrahedra. There are two shorter (2.59 Å) and two longer (2.60 Å) Cu–Te bond lengths. Sn4+ is bonded to four Te2- atoms to form SnTe4 tetrahedra that share corners with two equivalent SnTe4 tetrahedra and corners with ten equivalent CuTe4 tetrahedra. There are two shorter (2.82 Å) and two longer (2.89 Å) Sn–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent Cu1+ and two equivalent Sn4+ atoms to form corner-sharing TeCu2Sn2 tetrahedra. In the second Te2- site, Te2- is bonded to three equivalent Cu1+ and one Sn4+ atom to form corner-sharing TeCu3Sn tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-13089
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; Cu2SnTe3; Cu-Sn-Te
OSTI Identifier:
1189375
DOI:
10.17188/1189375

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Cu2SnTe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189375.
Persson, Kristin, & Project, Materials. Materials Data on Cu2SnTe3 by Materials Project. United States. doi:10.17188/1189375.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Cu2SnTe3 by Materials Project". United States. doi:10.17188/1189375. https://www.osti.gov/servlets/purl/1189375. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1189375,
title = {Materials Data on Cu2SnTe3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Cu2SnTe3 is Enargite-like structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Cu1+ is bonded to four Te2- atoms to form CuTe4 tetrahedra that share corners with five equivalent SnTe4 tetrahedra and corners with seven equivalent CuTe4 tetrahedra. There are two shorter (2.59 Å) and two longer (2.60 Å) Cu–Te bond lengths. Sn4+ is bonded to four Te2- atoms to form SnTe4 tetrahedra that share corners with two equivalent SnTe4 tetrahedra and corners with ten equivalent CuTe4 tetrahedra. There are two shorter (2.82 Å) and two longer (2.89 Å) Sn–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent Cu1+ and two equivalent Sn4+ atoms to form corner-sharing TeCu2Sn2 tetrahedra. In the second Te2- site, Te2- is bonded to three equivalent Cu1+ and one Sn4+ atom to form corner-sharing TeCu3Sn tetrahedra.},
doi = {10.17188/1189375},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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