Materials Data on Co2PO5 by Materials Project
Abstract
Co2PO5 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Co+2.50+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with four equivalent CoO6 octahedra, corners with four equivalent PO4 tetrahedra, and faces with two equivalent CoO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Co–O bond lengths are 2.06 Å. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with eight equivalent CoO6 octahedra. The corner-sharing octahedral tilt angles are 41°. All P–O bond lengths are 1.55 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Co+2.50+ and one P5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Co+2.50+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1105140
- 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; Co2PO5; Co-O-P
- OSTI Identifier:
- 1718443
- DOI:
- https://doi.org/10.17188/1718443
Citation Formats
The Materials Project. Materials Data on Co2PO5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1718443.
The Materials Project. Materials Data on Co2PO5 by Materials Project. United States. doi:https://doi.org/10.17188/1718443
The Materials Project. 2020.
"Materials Data on Co2PO5 by Materials Project". United States. doi:https://doi.org/10.17188/1718443. https://www.osti.gov/servlets/purl/1718443. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1718443,
title = {Materials Data on Co2PO5 by Materials Project},
author = {The Materials Project},
abstractNote = {Co2PO5 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Co+2.50+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with four equivalent CoO6 octahedra, corners with four equivalent PO4 tetrahedra, and faces with two equivalent CoO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Co–O bond lengths are 2.06 Å. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with eight equivalent CoO6 octahedra. The corner-sharing octahedral tilt angles are 41°. All P–O bond lengths are 1.55 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Co+2.50+ and one P5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Co+2.50+ atoms.},
doi = {10.17188/1718443},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}