Materials Data on Co(PO2)2 by Materials Project

doi:10.17188/1680681

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

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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.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1213753

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; Co(PO2)2; Co-O-P

OSTI Identifier:: 1680681

DOI:: https://doi.org/10.17188/1680681

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                    The Materials Project. Materials Data on Co(PO2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1680681.

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                    The Materials Project. Materials Data on Co(PO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1680681

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                    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

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@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}

}

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