U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CrNiO4 by Materials Project
Abstract
NiCrO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cr6+ is bonded to four O2- atoms to form CrO4 tetrahedra that share corners with six equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 47–53°. There is two shorter (1.63 Å) and two longer (1.71 Å) Cr–O bond length. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent CrO4 tetrahedra and edges with two equivalent NiO6 octahedra. There are two shorter (2.05 Å) and four longer (2.09 Å) Ni–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cr6+ and two equivalent Ni2+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cr6+ and one Ni2+ atom.
- Publication Date:
- Other Number(s):
- mp-18726
- 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; Cr-Ni-O; CrNiO4; crystal structure
- OSTI Identifier:
- 1193406
- DOI:
- https://doi.org/10.17188/1193406
Citation Formats
Materials Data on CrNiO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1193406.
Materials Data on CrNiO4 by Materials Project. United States. doi:https://doi.org/10.17188/1193406
2020.
"Materials Data on CrNiO4 by Materials Project". United States. doi:https://doi.org/10.17188/1193406. https://www.osti.gov/servlets/purl/1193406. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1193406,
title = {Materials Data on CrNiO4 by Materials Project},
abstractNote = {NiCrO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cr6+ is bonded to four O2- atoms to form CrO4 tetrahedra that share corners with six equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 47–53°. There is two shorter (1.63 Å) and two longer (1.71 Å) Cr–O bond length. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent CrO4 tetrahedra and edges with two equivalent NiO6 octahedra. There are two shorter (2.05 Å) and four longer (2.09 Å) Ni–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cr6+ and two equivalent Ni2+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cr6+ and one Ni2+ atom.},
doi = {10.17188/1193406},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}