U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on V2(CrSi)3 by Materials Project
Abstract
V2(CrSi)3 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. V2+ is bonded in a 7-coordinate geometry to one Cr+2.67+ and six Si4- atoms. The V–Cr bond length is 2.55 Å. There are a spread of V–Si bond distances ranging from 2.44–2.65 Å. There are two inequivalent Cr+2.67+ sites. In the first Cr+2.67+ site, Cr+2.67+ is bonded in a 7-coordinate geometry to one V2+ and six Si4- atoms. There are a spread of Cr–Si bond distances ranging from 2.42–2.66 Å. In the second Cr+2.67+ site, Cr+2.67+ is bonded in a distorted hexagonal planar geometry to two equivalent Cr+2.67+ and four equivalent Si4- atoms. Both Cr–Cr bond lengths are 2.33 Å. All Cr–Si bond lengths are 2.44 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 10-coordinate geometry to four equivalent V2+, four equivalent Cr+2.67+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.33 Å. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to four equivalent V2+ and six Cr+2.67+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1216681
- 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; V2(CrSi)3; Cr-Si-V
- OSTI Identifier:
- 1753660
- DOI:
- https://doi.org/10.17188/1753660
Citation Formats
The Materials Project. Materials Data on V2(CrSi)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1753660.
The Materials Project. Materials Data on V2(CrSi)3 by Materials Project. United States. doi:https://doi.org/10.17188/1753660
The Materials Project. 2020.
"Materials Data on V2(CrSi)3 by Materials Project". United States. doi:https://doi.org/10.17188/1753660. https://www.osti.gov/servlets/purl/1753660. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1753660,
title = {Materials Data on V2(CrSi)3 by Materials Project},
author = {The Materials Project},
abstractNote = {V2(CrSi)3 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. V2+ is bonded in a 7-coordinate geometry to one Cr+2.67+ and six Si4- atoms. The V–Cr bond length is 2.55 Å. There are a spread of V–Si bond distances ranging from 2.44–2.65 Å. There are two inequivalent Cr+2.67+ sites. In the first Cr+2.67+ site, Cr+2.67+ is bonded in a 7-coordinate geometry to one V2+ and six Si4- atoms. There are a spread of Cr–Si bond distances ranging from 2.42–2.66 Å. In the second Cr+2.67+ site, Cr+2.67+ is bonded in a distorted hexagonal planar geometry to two equivalent Cr+2.67+ and four equivalent Si4- atoms. Both Cr–Cr bond lengths are 2.33 Å. All Cr–Si bond lengths are 2.44 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 10-coordinate geometry to four equivalent V2+, four equivalent Cr+2.67+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.33 Å. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to four equivalent V2+ and six Cr+2.67+ atoms.},
doi = {10.17188/1753660},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}