U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cr2CoTe4 by Materials Project
Abstract
Cr2CoTe4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cr3+ is bonded to six Te2- atoms to form CrTe6 octahedra that share corners with six equivalent CoTe6 octahedra, edges with six equivalent CrTe6 octahedra, and a faceface with one CoTe6 octahedra. The corner-sharing octahedra tilt angles range from 49–53°. There are a spread of Cr–Te bond distances ranging from 2.69–2.80 Å. Co2+ is bonded to six Te2- atoms to form CoTe6 octahedra that share corners with twelve equivalent CrTe6 octahedra, edges with two equivalent CoTe6 octahedra, and faces with two equivalent CrTe6 octahedra. The corner-sharing octahedra tilt angles range from 49–53°. There are two shorter (2.65 Å) and four longer (2.70 Å) Co–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to three equivalent Cr3+ and two equivalent Co2+ atoms. In the second Te2- site, Te2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr3+ and one Co2+ atom.
- Publication Date:
- Other Number(s):
- mp-1025239
- 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; Co-Cr-Te; Cr2CoTe4; crystal structure
- OSTI Identifier:
- 1355318
- DOI:
- https://doi.org/10.17188/1355318
Citation Formats
Materials Data on Cr2CoTe4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355318.
Materials Data on Cr2CoTe4 by Materials Project. United States. doi:https://doi.org/10.17188/1355318
2020.
"Materials Data on Cr2CoTe4 by Materials Project". United States. doi:https://doi.org/10.17188/1355318. https://www.osti.gov/servlets/purl/1355318. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1355318,
title = {Materials Data on Cr2CoTe4 by Materials Project},
abstractNote = {Cr2CoTe4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cr3+ is bonded to six Te2- atoms to form CrTe6 octahedra that share corners with six equivalent CoTe6 octahedra, edges with six equivalent CrTe6 octahedra, and a faceface with one CoTe6 octahedra. The corner-sharing octahedra tilt angles range from 49–53°. There are a spread of Cr–Te bond distances ranging from 2.69–2.80 Å. Co2+ is bonded to six Te2- atoms to form CoTe6 octahedra that share corners with twelve equivalent CrTe6 octahedra, edges with two equivalent CoTe6 octahedra, and faces with two equivalent CrTe6 octahedra. The corner-sharing octahedra tilt angles range from 49–53°. There are two shorter (2.65 Å) and four longer (2.70 Å) Co–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to three equivalent Cr3+ and two equivalent Co2+ atoms. In the second Te2- site, Te2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr3+ and one Co2+ atom.},
doi = {10.17188/1355318},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}