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Title: 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 = {2020},
month = {5}
}