U.S. Department of EnergyOffice of Scientific and Technical Information
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
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Bi-Mn-Te; Mn(BiTe2)2; crystal structure
- OSTI Identifier:
- 1726968
- DOI:
- https://doi.org/10.17188/1726968
Citation Formats
Materials Data on Mn(BiTe2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1726968.
Materials Data on Mn(BiTe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1726968
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 04:00:00 UTC 2020
@article{osti_1726968,
title = {Materials Data on Mn(BiTe2)2 by 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 = {Sun Apr 26 04:00:00 UTC 2020},
month = {Sun Apr 26 04:00:00 UTC 2020}
}