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Title: Materials Data on Mn(BiTe2)2 by Materials Project

Abstract

Bi2MnTe4 is MAX Phase-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Bi2MnTe4 sheets oriented in the (0, 0, 1) direction. Mn2+ is bonded to six equivalent Te2- atoms to form MnTe6 octahedra that share corners with six equivalent BiTe6 octahedra, edges with six equivalent MnTe6 octahedra, and edges with six equivalent BiTe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Mn–Te bond lengths are 2.94 Å. Bi3+ is bonded to six Te2- atoms to form BiTe6 octahedra that share corners with three equivalent MnTe6 octahedra, edges with three equivalent MnTe6 octahedra, and edges with six equivalent BiTe6 octahedra. The corner-sharing octahedral tilt angles are 9°. There are three shorter (3.07 Å) and three longer (3.31 Å) Bi–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 Bi3+ atoms. In the second Te2- site, Te2- is bonded to three equivalent Mn2+ and three equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing TeMn3Bi3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-1077840
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; Mn(BiTe2)2; Bi-Mn-Te
OSTI Identifier:
1726968
DOI:
https://doi.org/10.17188/1726968

Citation Formats

The Materials Project. Materials Data on Mn(BiTe2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1726968.
The Materials Project. Materials Data on Mn(BiTe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1726968
The Materials Project. 2020. "Materials Data on Mn(BiTe2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1726968. https://www.osti.gov/servlets/purl/1726968. Pub date:Sun Apr 26 00:00:00 EDT 2020
@article{osti_1726968,
title = {Materials Data on Mn(BiTe2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Bi2MnTe4 is MAX Phase-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Bi2MnTe4 sheets oriented in the (0, 0, 1) direction. Mn2+ is bonded to six equivalent Te2- atoms to form MnTe6 octahedra that share corners with six equivalent BiTe6 octahedra, edges with six equivalent MnTe6 octahedra, and edges with six equivalent BiTe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Mn–Te bond lengths are 2.94 Å. Bi3+ is bonded to six Te2- atoms to form BiTe6 octahedra that share corners with three equivalent MnTe6 octahedra, edges with three equivalent MnTe6 octahedra, and edges with six equivalent BiTe6 octahedra. The corner-sharing octahedral tilt angles are 9°. There are three shorter (3.07 Å) and three longer (3.31 Å) Bi–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 Bi3+ atoms. In the second Te2- site, Te2- is bonded to three equivalent Mn2+ and three equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing TeMn3Bi3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1726968},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}