U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgV2O6 by Materials Project
Abstract
MgV2O6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mg2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are one shorter (1.94 Å) and four longer (2.11 Å) Mg–O bond lengths. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a distorted trigonal bipyramidal geometry to five O2- atoms. There is one shorter (1.81 Å) and four longer (1.84 Å) V–O bond length. In the second V5+ site, V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There is one shorter (1.78 Å) and four longer (1.93 Å) V–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Mg2+ and two V5+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two V5+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Mg2+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mvc-15230
- 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; MgV2O6; Mg-O-V
- OSTI Identifier:
- 1319418
- DOI:
- https://doi.org/10.17188/1319418
Citation Formats
The Materials Project. Materials Data on MgV2O6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1319418.
The Materials Project. Materials Data on MgV2O6 by Materials Project. United States. doi:https://doi.org/10.17188/1319418
The Materials Project. 2020.
"Materials Data on MgV2O6 by Materials Project". United States. doi:https://doi.org/10.17188/1319418. https://www.osti.gov/servlets/purl/1319418. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1319418,
title = {Materials Data on MgV2O6 by Materials Project},
author = {The Materials Project},
abstractNote = {MgV2O6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mg2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are one shorter (1.94 Å) and four longer (2.11 Å) Mg–O bond lengths. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a distorted trigonal bipyramidal geometry to five O2- atoms. There is one shorter (1.81 Å) and four longer (1.84 Å) V–O bond length. In the second V5+ site, V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There is one shorter (1.78 Å) and four longer (1.93 Å) V–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Mg2+ and two V5+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two V5+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Mg2+ atom.},
doi = {10.17188/1319418},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}