U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on VIr by Materials Project
Abstract
IrV crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are three inequivalent V sites. In the first V site, V is bonded to four equivalent V and eight Ir atoms to form distorted VV4Ir8 cuboctahedra that share corners with four equivalent VV4Ir8 cuboctahedra, corners with eight equivalent IrV8 cuboctahedra, edges with four equivalent IrV8 cuboctahedra, and faces with two equivalent VV4Ir8 cuboctahedra. All V–V bond lengths are 2.61 Å. There are four shorter (2.65 Å) and four longer (2.80 Å) V–Ir bond lengths. In the second V site, V is bonded in a distorted body-centered cubic geometry to eight Ir atoms. There are four shorter (2.57 Å) and four longer (2.65 Å) V–Ir bond lengths. In the third V site, V is bonded in a 8-coordinate geometry to two equivalent V and eight Ir atoms. There are a spread of V–Ir bond distances ranging from 2.60–2.74 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to eight V atoms to form distorted IrV8 cuboctahedra that share corners with four equivalent VV4Ir8 cuboctahedra, corners with eight equivalent IrV8 cuboctahedra, edges with two equivalent VV4Ir8 cuboctahedra, edges with four equivalent IrV8 cuboctahedra,more »
- Publication Date:
- Other Number(s):
- mp-1079131
- 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; Ir-V; VIr; crystal structure
- OSTI Identifier:
- 1738826
- DOI:
- https://doi.org/10.17188/1738826
Citation Formats
Materials Data on VIr by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1738826.
Materials Data on VIr by Materials Project. United States. doi:https://doi.org/10.17188/1738826
2020.
"Materials Data on VIr by Materials Project". United States. doi:https://doi.org/10.17188/1738826. https://www.osti.gov/servlets/purl/1738826. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1738826,
title = {Materials Data on VIr by Materials Project},
abstractNote = {IrV crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are three inequivalent V sites. In the first V site, V is bonded to four equivalent V and eight Ir atoms to form distorted VV4Ir8 cuboctahedra that share corners with four equivalent VV4Ir8 cuboctahedra, corners with eight equivalent IrV8 cuboctahedra, edges with four equivalent IrV8 cuboctahedra, and faces with two equivalent VV4Ir8 cuboctahedra. All V–V bond lengths are 2.61 Å. There are four shorter (2.65 Å) and four longer (2.80 Å) V–Ir bond lengths. In the second V site, V is bonded in a distorted body-centered cubic geometry to eight Ir atoms. There are four shorter (2.57 Å) and four longer (2.65 Å) V–Ir bond lengths. In the third V site, V is bonded in a 8-coordinate geometry to two equivalent V and eight Ir atoms. There are a spread of V–Ir bond distances ranging from 2.60–2.74 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to eight V atoms to form distorted IrV8 cuboctahedra that share corners with four equivalent VV4Ir8 cuboctahedra, corners with eight equivalent IrV8 cuboctahedra, edges with two equivalent VV4Ir8 cuboctahedra, edges with four equivalent IrV8 cuboctahedra, and faces with two equivalent IrV8 cuboctahedra. In the second Ir site, Ir is bonded in a 12-coordinate geometry to eight V atoms.},
doi = {10.17188/1738826},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}