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Title: Materials Data on Mn3CdTe4 by Materials Project

Abstract

Mn3CdTe4 is Chalcopyrite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are three inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to four Te2- atoms to form MnTe4 tetrahedra that share corners with three equivalent CdTe4 tetrahedra and corners with nine MnTe4 tetrahedra. All Mn–Te bond lengths are 2.77 Å. In the second Mn2+ site, Mn2+ is bonded to four Te2- atoms to form corner-sharing MnTe4 tetrahedra. There are one shorter (2.78 Å) and three longer (2.79 Å) Mn–Te bond lengths. In the third Mn2+ site, Mn2+ is bonded to four Te2- atoms to form MnTe4 tetrahedra that share corners with three equivalent CdTe4 tetrahedra and corners with nine MnTe4 tetrahedra. There are one shorter (2.73 Å) and three longer (2.78 Å) Mn–Te bond lengths. Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with six MnTe4 tetrahedra and corners with six equivalent CdTe4 tetrahedra. There are three shorter (2.83 Å) and one longer (2.85 Å) Cd–Te bond lengths. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to three equivalent Mn2+ and one Cd2+ atom to form corner-sharing TeMn3Cd tetrahedra.more » In the second Te2- site, Te2- is bonded to four Mn2+ atoms to form corner-sharing TeMn4 tetrahedra. In the third Te2- site, Te2- is bonded to four Mn2+ atoms to form corner-sharing TeMn4 tetrahedra. In the fourth Te2- site, Te2- is bonded to one Mn2+ and three equivalent Cd2+ atoms to form corner-sharing TeMnCd3 tetrahedra.« less

Publication Date:
Other Number(s):
mp-1221743
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; Mn3CdTe4; Cd-Mn-Te
OSTI Identifier:
1651605
DOI:
https://doi.org/10.17188/1651605

Citation Formats

The Materials Project. Materials Data on Mn3CdTe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651605.
The Materials Project. Materials Data on Mn3CdTe4 by Materials Project. United States. doi:https://doi.org/10.17188/1651605
The Materials Project. 2020. "Materials Data on Mn3CdTe4 by Materials Project". United States. doi:https://doi.org/10.17188/1651605. https://www.osti.gov/servlets/purl/1651605. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1651605,
title = {Materials Data on Mn3CdTe4 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn3CdTe4 is Chalcopyrite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are three inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to four Te2- atoms to form MnTe4 tetrahedra that share corners with three equivalent CdTe4 tetrahedra and corners with nine MnTe4 tetrahedra. All Mn–Te bond lengths are 2.77 Å. In the second Mn2+ site, Mn2+ is bonded to four Te2- atoms to form corner-sharing MnTe4 tetrahedra. There are one shorter (2.78 Å) and three longer (2.79 Å) Mn–Te bond lengths. In the third Mn2+ site, Mn2+ is bonded to four Te2- atoms to form MnTe4 tetrahedra that share corners with three equivalent CdTe4 tetrahedra and corners with nine MnTe4 tetrahedra. There are one shorter (2.73 Å) and three longer (2.78 Å) Mn–Te bond lengths. Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with six MnTe4 tetrahedra and corners with six equivalent CdTe4 tetrahedra. There are three shorter (2.83 Å) and one longer (2.85 Å) Cd–Te bond lengths. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to three equivalent Mn2+ and one Cd2+ atom to form corner-sharing TeMn3Cd tetrahedra. In the second Te2- site, Te2- is bonded to four Mn2+ atoms to form corner-sharing TeMn4 tetrahedra. In the third Te2- site, Te2- is bonded to four Mn2+ atoms to form corner-sharing TeMn4 tetrahedra. In the fourth Te2- site, Te2- is bonded to one Mn2+ and three equivalent Cd2+ atoms to form corner-sharing TeMnCd3 tetrahedra.},
doi = {10.17188/1651605},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}