U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Co3(PO7)2 by Materials Project
Abstract
Co3(PO7)2 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded to five O atoms to form distorted CoO5 trigonal bipyramids that share a cornercorner with one CoO6 octahedra and corners with four equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. There is one shorter (1.67 Å) and four longer (1.94 Å) Co–O bond length. In the second Co site, Co is bonded to six O atoms to form corner-sharing CoO6 octahedra. There is four shorter (1.71 Å) and two longer (2.03 Å) Co–O bond length. P is bonded to four equivalent O atoms to form PO4 tetrahedra that share corners with four equivalent CoO5 trigonal bipyramids. All P–O bond lengths are 1.55 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Co and one P atom. In the second O site, O is bonded in a linear geometry to two Co atoms. In the third O site, O is bonded in a single-bond geometry to one Co atom.
- Publication Date:
- Other Number(s):
- mp-1189551
- 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; Co-O-P; Co3(PO7)2; crystal structure
- OSTI Identifier:
- 1723843
- DOI:
- https://doi.org/10.17188/1723843
Citation Formats
Materials Data on Co3(PO7)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1723843.
Materials Data on Co3(PO7)2 by Materials Project. United States. doi:https://doi.org/10.17188/1723843
2019.
"Materials Data on Co3(PO7)2 by Materials Project". United States. doi:https://doi.org/10.17188/1723843. https://www.osti.gov/servlets/purl/1723843. Pub date:Thu Jan 10 23:00:00 EST 2019
@article{osti_1723843,
title = {Materials Data on Co3(PO7)2 by Materials Project},
abstractNote = {Co3(PO7)2 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded to five O atoms to form distorted CoO5 trigonal bipyramids that share a cornercorner with one CoO6 octahedra and corners with four equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. There is one shorter (1.67 Å) and four longer (1.94 Å) Co–O bond length. In the second Co site, Co is bonded to six O atoms to form corner-sharing CoO6 octahedra. There is four shorter (1.71 Å) and two longer (2.03 Å) Co–O bond length. P is bonded to four equivalent O atoms to form PO4 tetrahedra that share corners with four equivalent CoO5 trigonal bipyramids. All P–O bond lengths are 1.55 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Co and one P atom. In the second O site, O is bonded in a linear geometry to two Co atoms. In the third O site, O is bonded in a single-bond geometry to one Co atom.},
doi = {10.17188/1723843},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}