U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CaVO3 by Materials Project
Abstract
CaVO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded to twelve equivalent O2- atoms to form CaO12 cuboctahedra that share corners with twelve equivalent CaO12 cuboctahedra, faces with six equivalent CaO12 cuboctahedra, and faces with eight equivalent VO6 octahedra. All Ca–O bond lengths are 2.71 Å. V4+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All V–O bond lengths are 1.92 Å. O2- is bonded in a distorted linear geometry to four equivalent Ca2+ and two equivalent V4+ atoms.
- Publication Date:
- Other Number(s):
- mp-1016853
- 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; Ca-O-V; CaVO3; crystal structure
- OSTI Identifier:
- 1349446
- DOI:
- https://doi.org/10.17188/1349446
Citation Formats
Materials Data on CaVO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1349446.
Materials Data on CaVO3 by Materials Project. United States. doi:https://doi.org/10.17188/1349446
2020.
"Materials Data on CaVO3 by Materials Project". United States. doi:https://doi.org/10.17188/1349446. https://www.osti.gov/servlets/purl/1349446. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1349446,
title = {Materials Data on CaVO3 by Materials Project},
abstractNote = {CaVO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded to twelve equivalent O2- atoms to form CaO12 cuboctahedra that share corners with twelve equivalent CaO12 cuboctahedra, faces with six equivalent CaO12 cuboctahedra, and faces with eight equivalent VO6 octahedra. All Ca–O bond lengths are 2.71 Å. V4+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All V–O bond lengths are 1.92 Å. O2- is bonded in a distorted linear geometry to four equivalent Ca2+ and two equivalent V4+ atoms.},
doi = {10.17188/1349446},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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