Materials Data on VIrO3 by Materials Project
Abstract
VIrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. V3+ is bonded to twelve equivalent O2- atoms to form VO12 cuboctahedra that share corners with twelve equivalent VO12 cuboctahedra, faces with six equivalent VO12 cuboctahedra, and faces with eight equivalent IrO6 octahedra. All V–O bond lengths are 2.78 Å. Ir3+ is bonded to six equivalent O2- atoms to form IrO6 octahedra that share corners with six equivalent IrO6 octahedra and faces with eight equivalent VO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ir–O bond lengths are 1.96 Å. O2- is bonded in a linear geometry to four equivalent V3+ and two equivalent Ir3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-972116
- 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; VIrO3; Ir-O-V
- OSTI Identifier:
- 1313729
- DOI:
- https://doi.org/10.17188/1313729
Citation Formats
The Materials Project. Materials Data on VIrO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1313729.
The Materials Project. Materials Data on VIrO3 by Materials Project. United States. doi:https://doi.org/10.17188/1313729
The Materials Project. 2020.
"Materials Data on VIrO3 by Materials Project". United States. doi:https://doi.org/10.17188/1313729. https://www.osti.gov/servlets/purl/1313729. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1313729,
title = {Materials Data on VIrO3 by Materials Project},
author = {The Materials Project},
abstractNote = {VIrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. V3+ is bonded to twelve equivalent O2- atoms to form VO12 cuboctahedra that share corners with twelve equivalent VO12 cuboctahedra, faces with six equivalent VO12 cuboctahedra, and faces with eight equivalent IrO6 octahedra. All V–O bond lengths are 2.78 Å. Ir3+ is bonded to six equivalent O2- atoms to form IrO6 octahedra that share corners with six equivalent IrO6 octahedra and faces with eight equivalent VO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ir–O bond lengths are 1.96 Å. O2- is bonded in a linear geometry to four equivalent V3+ and two equivalent Ir3+ atoms.},
doi = {10.17188/1313729},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}
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