U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CrPO4 by Materials Project
Abstract
CrPO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent PO4 tetrahedra and edges with two equivalent CrO6 octahedra. There are two shorter (1.97 Å) and four longer (2.08 Å) Cr–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with six equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. There is two shorter (1.52 Å) and two longer (1.59 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cr3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cr3+ and one P5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-18906
- 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; CrPO4; Cr-O-P
- OSTI Identifier:
- 1193610
- DOI:
- https://doi.org/10.17188/1193610
Citation Formats
The Materials Project. Materials Data on CrPO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1193610.
The Materials Project. Materials Data on CrPO4 by Materials Project. United States. doi:https://doi.org/10.17188/1193610
The Materials Project. 2020.
"Materials Data on CrPO4 by Materials Project". United States. doi:https://doi.org/10.17188/1193610. https://www.osti.gov/servlets/purl/1193610. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1193610,
title = {Materials Data on CrPO4 by Materials Project},
author = {The Materials Project},
abstractNote = {CrPO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent PO4 tetrahedra and edges with two equivalent CrO6 octahedra. There are two shorter (1.97 Å) and four longer (2.08 Å) Cr–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with six equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. There is two shorter (1.52 Å) and two longer (1.59 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cr3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cr3+ and one P5+ atom.},
doi = {10.17188/1193610},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 17 00:00:00 EDT 2020},
month = {Fri Jul 17 00:00:00 EDT 2020}
}