U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on V(CrTe2)2 by Materials Project
Abstract
V(CrTe2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V2+ is bonded to six Te2- atoms to form VTe6 octahedra that share corners with twelve equivalent CrTe6 octahedra, edges with two equivalent VTe6 octahedra, and faces with two equivalent CrTe6 octahedra. The corner-sharing octahedra tilt angles range from 50–52°. There are two shorter (2.77 Å) and four longer (2.79 Å) V–Te bond lengths. Cr3+ is bonded to six Te2- atoms to form CrTe6 octahedra that share corners with six equivalent VTe6 octahedra, edges with six equivalent CrTe6 octahedra, and a faceface with one VTe6 octahedra. The corner-sharing octahedra tilt angles range from 50–52°. There are a spread of Cr–Te bond distances ranging from 2.72–2.85 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent V2+ and three equivalent Cr3+ atoms. In the second Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to one V2+ and three equivalent Cr3+ atoms.
- Publication Date:
- Other Number(s):
- mp-1025344
- 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; Cr-Te-V; crystal structure; V(CrTe2)2
- OSTI Identifier:
- 1355186
- DOI:
- https://doi.org/10.17188/1355186
Citation Formats
Materials Data on V(CrTe2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355186.
Materials Data on V(CrTe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1355186
2020.
"Materials Data on V(CrTe2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1355186. https://www.osti.gov/servlets/purl/1355186. Pub date:Tue Jul 14 20:00:00 EDT 2020
@article{osti_1355186,
title = {Materials Data on V(CrTe2)2 by Materials Project},
abstractNote = {V(CrTe2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V2+ is bonded to six Te2- atoms to form VTe6 octahedra that share corners with twelve equivalent CrTe6 octahedra, edges with two equivalent VTe6 octahedra, and faces with two equivalent CrTe6 octahedra. The corner-sharing octahedra tilt angles range from 50–52°. There are two shorter (2.77 Å) and four longer (2.79 Å) V–Te bond lengths. Cr3+ is bonded to six Te2- atoms to form CrTe6 octahedra that share corners with six equivalent VTe6 octahedra, edges with six equivalent CrTe6 octahedra, and a faceface with one VTe6 octahedra. The corner-sharing octahedra tilt angles range from 50–52°. There are a spread of Cr–Te bond distances ranging from 2.72–2.85 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent V2+ and three equivalent Cr3+ atoms. In the second Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to one V2+ and three equivalent Cr3+ atoms.},
doi = {10.17188/1355186},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}