U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgV2O4 by Materials Project
Abstract
MgV2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Mg–O bond distances ranging from 2.22–2.63 Å. There are two inequivalent V3+ sites. In the first V3+ site, V3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 49–65°. There are a spread of V–O bond distances ranging from 1.97–2.10 Å. In the second V3+ site, V3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 49–65°. There are a spread of V–O bond distances ranging from 1.96–2.10 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Mg2+ and three equivalent V3+ atoms to form a mixture of distorted corner and edge-sharing OMg2V3 trigonal bipyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Mg2+ and three V3+ atoms. In the third O2- site, O2- is bonded to two equivalent Mg2+ and three equivalent V3+ atoms to form amore »
- Authors:
- Publication Date:
- Other Number(s):
- mvc-12111
- 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; MgV2O4; Mg-O-V
- OSTI Identifier:
- 1318440
- DOI:
- https://doi.org/10.17188/1318440
Citation Formats
The Materials Project. Materials Data on MgV2O4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1318440.
The Materials Project. Materials Data on MgV2O4 by Materials Project. United States. doi:https://doi.org/10.17188/1318440
The Materials Project. 2020.
"Materials Data on MgV2O4 by Materials Project". United States. doi:https://doi.org/10.17188/1318440. https://www.osti.gov/servlets/purl/1318440. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1318440,
title = {Materials Data on MgV2O4 by Materials Project},
author = {The Materials Project},
abstractNote = {MgV2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Mg–O bond distances ranging from 2.22–2.63 Å. There are two inequivalent V3+ sites. In the first V3+ site, V3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 49–65°. There are a spread of V–O bond distances ranging from 1.97–2.10 Å. In the second V3+ site, V3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 49–65°. There are a spread of V–O bond distances ranging from 1.96–2.10 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Mg2+ and three equivalent V3+ atoms to form a mixture of distorted corner and edge-sharing OMg2V3 trigonal bipyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Mg2+ and three V3+ atoms. In the third O2- site, O2- is bonded to two equivalent Mg2+ and three equivalent V3+ atoms to form a mixture of distorted corner and edge-sharing OMg2V3 trigonal bipyramids. In the fourth O2- site, O2- is bonded to two equivalent Mg2+ and three V3+ atoms to form a mixture of distorted corner and edge-sharing OMg2V3 trigonal bipyramids.},
doi = {10.17188/1318440},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}