U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on VCl2O by Materials Project
Abstract
VOCl2 crystallizes in the orthorhombic Imm2 space group. The structure is two-dimensional and consists of two VOCl2 sheets oriented in the (0, 0, 1) direction. V4+ is bonded to two equivalent O2- and four equivalent Cl1- atoms to form a mixture of distorted edge and corner-sharing VCl4O2 octahedra. The corner-sharing octahedral tilt angles are 0°. There is one shorter (1.69 Å) and one longer (2.05 Å) V–O bond length. All V–Cl bond lengths are 2.42 Å. O2- is bonded in a linear geometry to two equivalent V4+ atoms. Cl1- is bonded in an L-shaped geometry to two equivalent V4+ atoms.
- Publication Date:
- Other Number(s):
- mp-1216404
- 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; Cl-O-V; VCl2O; crystal structure
- OSTI Identifier:
- 1741867
- DOI:
- https://doi.org/10.17188/1741867
Citation Formats
Materials Data on VCl2O by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1741867.
Materials Data on VCl2O by Materials Project. United States. doi:https://doi.org/10.17188/1741867
2020.
"Materials Data on VCl2O by Materials Project". United States. doi:https://doi.org/10.17188/1741867. https://www.osti.gov/servlets/purl/1741867. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1741867,
title = {Materials Data on VCl2O by Materials Project},
abstractNote = {VOCl2 crystallizes in the orthorhombic Imm2 space group. The structure is two-dimensional and consists of two VOCl2 sheets oriented in the (0, 0, 1) direction. V4+ is bonded to two equivalent O2- and four equivalent Cl1- atoms to form a mixture of distorted edge and corner-sharing VCl4O2 octahedra. The corner-sharing octahedral tilt angles are 0°. There is one shorter (1.69 Å) and one longer (2.05 Å) V–O bond length. All V–Cl bond lengths are 2.42 Å. O2- is bonded in a linear geometry to two equivalent V4+ atoms. Cl1- is bonded in an L-shaped geometry to two equivalent V4+ atoms.},
doi = {10.17188/1741867},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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