U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsTmZnTe3 by Materials Project
Abstract
CsTmZnTe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Cs–Te bond distances ranging from 3.94–4.18 Å. Tm3+ is bonded to six Te2- atoms to form TmTe6 octahedra that share corners with two equivalent TmTe6 octahedra, edges with two equivalent TmTe6 octahedra, and edges with four equivalent ZnTe4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. All Tm–Te bond lengths are 3.07 Å. Zn2+ is bonded to four Te2- atoms to form ZnTe4 tetrahedra that share corners with two equivalent ZnTe4 tetrahedra and edges with four equivalent TmTe6 octahedra. There are two shorter (2.65 Å) and two longer (2.76 Å) Zn–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 Cs1+, two equivalent Tm3+, and one Zn2+ atom. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent Cs1+, two equivalent Tm3+, and two equivalent Zn2+ atoms.
- Publication Date:
- Other Number(s):
- mp-1103187
- 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; Cs-Te-Tm-Zn; CsTmZnTe3; crystal structure
- OSTI Identifier:
- 1711124
- DOI:
- https://doi.org/10.17188/1711124
Citation Formats
Materials Data on CsTmZnTe3 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1711124.
Materials Data on CsTmZnTe3 by Materials Project. United States. doi:https://doi.org/10.17188/1711124
2018.
"Materials Data on CsTmZnTe3 by Materials Project". United States. doi:https://doi.org/10.17188/1711124. https://www.osti.gov/servlets/purl/1711124. Pub date:Wed Jul 18 04:00:00 UTC 2018
@article{osti_1711124,
title = {Materials Data on CsTmZnTe3 by Materials Project},
abstractNote = {CsTmZnTe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Cs–Te bond distances ranging from 3.94–4.18 Å. Tm3+ is bonded to six Te2- atoms to form TmTe6 octahedra that share corners with two equivalent TmTe6 octahedra, edges with two equivalent TmTe6 octahedra, and edges with four equivalent ZnTe4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. All Tm–Te bond lengths are 3.07 Å. Zn2+ is bonded to four Te2- atoms to form ZnTe4 tetrahedra that share corners with two equivalent ZnTe4 tetrahedra and edges with four equivalent TmTe6 octahedra. There are two shorter (2.65 Å) and two longer (2.76 Å) Zn–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 Cs1+, two equivalent Tm3+, and one Zn2+ atom. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent Cs1+, two equivalent Tm3+, and two equivalent Zn2+ atoms.},
doi = {10.17188/1711124},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}