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Title: Materials Data on CuTe2I by Materials Project

Abstract

CuITe2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two CuITe2 ribbons oriented in the (0, 1, 0) direction. Cu3+ is bonded to two Te1- and two equivalent I1- atoms to form corner-sharing CuTe2I2 tetrahedra. There are one shorter (2.56 Å) and one longer (2.57 Å) Cu–Te bond lengths. There are one shorter (2.64 Å) and one longer (2.67 Å) Cu–I bond lengths. There are two inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 1-coordinate geometry to one Cu3+ atom. In the second Te1- site, Te1- is bonded in a 1-coordinate geometry to one Cu3+ atom. I1- is bonded in a distorted water-like geometry to two equivalent Cu3+ atoms.

Publication Date:
Other Number(s):
mp-31037
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; CuTe2I; Cu-I-Te
OSTI Identifier:
1205366
DOI:
10.17188/1205366

Citation Formats

The Materials Project. Materials Data on CuTe2I by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205366.
The Materials Project. Materials Data on CuTe2I by Materials Project. United States. doi:10.17188/1205366.
The Materials Project. 2020. "Materials Data on CuTe2I by Materials Project". United States. doi:10.17188/1205366. https://www.osti.gov/servlets/purl/1205366. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1205366,
title = {Materials Data on CuTe2I by Materials Project},
author = {The Materials Project},
abstractNote = {CuITe2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two CuITe2 ribbons oriented in the (0, 1, 0) direction. Cu3+ is bonded to two Te1- and two equivalent I1- atoms to form corner-sharing CuTe2I2 tetrahedra. There are one shorter (2.56 Å) and one longer (2.57 Å) Cu–Te bond lengths. There are one shorter (2.64 Å) and one longer (2.67 Å) Cu–I bond lengths. There are two inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 1-coordinate geometry to one Cu3+ atom. In the second Te1- site, Te1- is bonded in a 1-coordinate geometry to one Cu3+ atom. I1- is bonded in a distorted water-like geometry to two equivalent Cu3+ atoms.},
doi = {10.17188/1205366},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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