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Title: Materials Data on MnCd4Te5 by Materials Project

Abstract

MnCd4Te5 is Chalcopyrite-like structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent Te2- atoms to form MnTe4 tetrahedra that share corners with twelve equivalent CdTe4 tetrahedra. All Mn–Te bond lengths are 2.74 Å. Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with three equivalent MnTe4 tetrahedra and corners with nine equivalent CdTe4 tetrahedra. There are a spread of Cd–Te bond distances ranging from 2.86–2.88 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to one Mn2+ and three equivalent Cd2+ atoms to form corner-sharing TeMnCd3 tetrahedra. In the second Te2- site, Te2- is bonded to four equivalent Cd2+ atoms to form corner-sharing TeCd4 tetrahedra.

Publication Date:
Other Number(s):
mp-1221733
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; MnCd4Te5; Cd-Mn-Te
OSTI Identifier:
1685089
DOI:
https://doi.org/10.17188/1685089

Citation Formats

The Materials Project. Materials Data on MnCd4Te5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1685089.
The Materials Project. Materials Data on MnCd4Te5 by Materials Project. United States. doi:https://doi.org/10.17188/1685089
The Materials Project. 2019. "Materials Data on MnCd4Te5 by Materials Project". United States. doi:https://doi.org/10.17188/1685089. https://www.osti.gov/servlets/purl/1685089. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1685089,
title = {Materials Data on MnCd4Te5 by Materials Project},
author = {The Materials Project},
abstractNote = {MnCd4Te5 is Chalcopyrite-like structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent Te2- atoms to form MnTe4 tetrahedra that share corners with twelve equivalent CdTe4 tetrahedra. All Mn–Te bond lengths are 2.74 Å. Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with three equivalent MnTe4 tetrahedra and corners with nine equivalent CdTe4 tetrahedra. There are a spread of Cd–Te bond distances ranging from 2.86–2.88 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to one Mn2+ and three equivalent Cd2+ atoms to form corner-sharing TeMnCd3 tetrahedra. In the second Te2- site, Te2- is bonded to four equivalent Cd2+ atoms to form corner-sharing TeCd4 tetrahedra.},
doi = {10.17188/1685089},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}