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Title: Materials Data on Co(PO2)2 by Materials Project

Abstract

Co(PO2)2 crystallizes in the orthorhombic Pmma space group. The structure is two-dimensional and consists of one Co(PO2)2 sheet oriented in the (0, 0, 1) direction. Co4+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There are two shorter (2.01 Å) and four longer (2.21 Å) Co–O bond lengths. There are two inequivalent P2+ sites. In the first P2+ site, P2+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both P–O bond lengths are 1.53 Å. In the second P2+ site, P2+ is bonded in a water-like geometry to two equivalent O2- atoms. Both P–O bond lengths are 1.54 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Co4+ and one P2+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Co4+ and one P2+ atom.

Publication Date:
Other Number(s):
mp-1213753
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Co(PO2)2; Co-O-P
OSTI Identifier:
1680681
DOI:
https://doi.org/10.17188/1680681

Citation Formats

The Materials Project. Materials Data on Co(PO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680681.
The Materials Project. Materials Data on Co(PO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1680681
The Materials Project. 2020. "Materials Data on Co(PO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1680681. https://www.osti.gov/servlets/purl/1680681. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1680681,
title = {Materials Data on Co(PO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Co(PO2)2 crystallizes in the orthorhombic Pmma space group. The structure is two-dimensional and consists of one Co(PO2)2 sheet oriented in the (0, 0, 1) direction. Co4+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There are two shorter (2.01 Å) and four longer (2.21 Å) Co–O bond lengths. There are two inequivalent P2+ sites. In the first P2+ site, P2+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both P–O bond lengths are 1.53 Å. In the second P2+ site, P2+ is bonded in a water-like geometry to two equivalent O2- atoms. Both P–O bond lengths are 1.54 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Co4+ and one P2+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Co4+ and one P2+ atom.},
doi = {10.17188/1680681},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}