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

Title: Materials Data on Mn3CrTe4 by Materials Project

Abstract

CrMn3Te4 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cr2+ is bonded to six equivalent Te2- atoms to form CrTe6 octahedra that share corners with twelve equivalent MnTe6 octahedra, edges with six equivalent CrTe6 octahedra, and faces with two equivalent MnTe6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Cr–Te bond lengths are 2.85 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six equivalent Te2- atoms to form a mixture of edge, corner, and face-sharing MnTe6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Mn–Te bond lengths are 2.87 Å. In the second Mn2+ site, Mn2+ is bonded to six Te2- atoms to form MnTe6 octahedra that share corners with six equivalent CrTe6 octahedra, corners with six equivalent MnTe6 octahedra, edges with six equivalent MnTe6 octahedra, a faceface with one CrTe6 octahedra, and a faceface with one MnTe6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are three shorter (2.82 Å) and three longer (2.91 Å) Mn–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Cr2+more » and three equivalent Mn2+ atoms. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to six Mn2+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1221907
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Mn3CrTe4; Cr-Mn-Te
OSTI Identifier:
1732928
DOI:
https://doi.org/10.17188/1732928

Citation Formats

The Materials Project. Materials Data on Mn3CrTe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1732928.
The Materials Project. Materials Data on Mn3CrTe4 by Materials Project. United States. doi:https://doi.org/10.17188/1732928
The Materials Project. 2020. "Materials Data on Mn3CrTe4 by Materials Project". United States. doi:https://doi.org/10.17188/1732928. https://www.osti.gov/servlets/purl/1732928. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1732928,
title = {Materials Data on Mn3CrTe4 by Materials Project},
author = {The Materials Project},
abstractNote = {CrMn3Te4 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cr2+ is bonded to six equivalent Te2- atoms to form CrTe6 octahedra that share corners with twelve equivalent MnTe6 octahedra, edges with six equivalent CrTe6 octahedra, and faces with two equivalent MnTe6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Cr–Te bond lengths are 2.85 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six equivalent Te2- atoms to form a mixture of edge, corner, and face-sharing MnTe6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Mn–Te bond lengths are 2.87 Å. In the second Mn2+ site, Mn2+ is bonded to six Te2- atoms to form MnTe6 octahedra that share corners with six equivalent CrTe6 octahedra, corners with six equivalent MnTe6 octahedra, edges with six equivalent MnTe6 octahedra, a faceface with one CrTe6 octahedra, and a faceface with one MnTe6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are three shorter (2.82 Å) and three longer (2.91 Å) Mn–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Cr2+ and three equivalent Mn2+ atoms. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to six Mn2+ atoms.},
doi = {10.17188/1732928},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}