U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TmBiTe3 by Materials Project
Abstract
TmBiTe3 is Calaverite-derived structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three TmBiTe3 sheets oriented in the (0, 0, 1) direction. Tm3+ is bonded to six Te2- atoms to form TmTe6 octahedra that share corners with three equivalent BiTe6 octahedra, edges with three equivalent BiTe6 octahedra, and edges with six equivalent TmTe6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are three shorter (2.99 Å) and three longer (3.17 Å) Tm–Te bond lengths. Bi3+ is bonded to six Te2- atoms to form BiTe6 octahedra that share corners with three equivalent TmTe6 octahedra, edges with three equivalent TmTe6 octahedra, and edges with six equivalent BiTe6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are three shorter (3.06 Å) and three longer (3.35 Å) Bi–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to three equivalent Tm3+ and three equivalent Bi3+ atoms to form distorted edge-sharing TeTm3Bi3 octahedra. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Tm3+ atoms.
- Publication Date:
- Other Number(s):
- mp-1216578
- 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-Te-Tm; TmBiTe3; crystal structure
- OSTI Identifier:
- 1721962
- DOI:
- https://doi.org/10.17188/1721962
Citation Formats
Materials Data on TmBiTe3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1721962.
Materials Data on TmBiTe3 by Materials Project. United States. doi:https://doi.org/10.17188/1721962
2020.
"Materials Data on TmBiTe3 by Materials Project". United States. doi:https://doi.org/10.17188/1721962. https://www.osti.gov/servlets/purl/1721962. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1721962,
title = {Materials Data on TmBiTe3 by Materials Project},
abstractNote = {TmBiTe3 is Calaverite-derived structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three TmBiTe3 sheets oriented in the (0, 0, 1) direction. Tm3+ is bonded to six Te2- atoms to form TmTe6 octahedra that share corners with three equivalent BiTe6 octahedra, edges with three equivalent BiTe6 octahedra, and edges with six equivalent TmTe6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are three shorter (2.99 Å) and three longer (3.17 Å) Tm–Te bond lengths. Bi3+ is bonded to six Te2- atoms to form BiTe6 octahedra that share corners with three equivalent TmTe6 octahedra, edges with three equivalent TmTe6 octahedra, and edges with six equivalent BiTe6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are three shorter (3.06 Å) and three longer (3.35 Å) Bi–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to three equivalent Tm3+ and three equivalent Bi3+ atoms to form distorted edge-sharing TeTm3Bi3 octahedra. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Tm3+ atoms.},
doi = {10.17188/1721962},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}