U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on V(CrS2)2 by Materials Project
Abstract
V(CrS2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V2+ is bonded to six S2- atoms to form VS6 octahedra that share corners with twelve equivalent CrS6 octahedra, edges with two equivalent VS6 octahedra, and faces with two equivalent CrS6 octahedra. The corner-sharing octahedra tilt angles range from 49–51°. There are two shorter (2.41 Å) and four longer (2.45 Å) V–S bond lengths. Cr3+ is bonded to six S2- atoms to form CrS6 octahedra that share corners with six equivalent VS6 octahedra, edges with six equivalent CrS6 octahedra, and a faceface with one VS6 octahedra. The corner-sharing octahedra tilt angles range from 49–51°. There are a spread of Cr–S bond distances ranging from 2.36–2.47 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent V2+ and three equivalent Cr3+ atoms to form a mixture of distorted corner and edge-sharing SV2Cr3 trigonal bipyramids. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to one V2+ and three equivalent Cr3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1025224
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; V(CrS2)2; Cr-S-V
- OSTI Identifier:
- 1355520
- DOI:
- https://doi.org/10.17188/1355520
Citation Formats
The Materials Project. Materials Data on V(CrS2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355520.
The Materials Project. Materials Data on V(CrS2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1355520
The Materials Project. 2020.
"Materials Data on V(CrS2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1355520. https://www.osti.gov/servlets/purl/1355520. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1355520,
title = {Materials Data on V(CrS2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {V(CrS2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V2+ is bonded to six S2- atoms to form VS6 octahedra that share corners with twelve equivalent CrS6 octahedra, edges with two equivalent VS6 octahedra, and faces with two equivalent CrS6 octahedra. The corner-sharing octahedra tilt angles range from 49–51°. There are two shorter (2.41 Å) and four longer (2.45 Å) V–S bond lengths. Cr3+ is bonded to six S2- atoms to form CrS6 octahedra that share corners with six equivalent VS6 octahedra, edges with six equivalent CrS6 octahedra, and a faceface with one VS6 octahedra. The corner-sharing octahedra tilt angles range from 49–51°. There are a spread of Cr–S bond distances ranging from 2.36–2.47 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent V2+ and three equivalent Cr3+ atoms to form a mixture of distorted corner and edge-sharing SV2Cr3 trigonal bipyramids. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to one V2+ and three equivalent Cr3+ atoms.},
doi = {10.17188/1355520},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}