Materials Data on MnP2HO8 by Materials Project

doi:10.17188/1733473

Title: Materials Data on MnP2HO8 by Materials Project

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Abstract

MnP2HO8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mn7+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 1.68–2.20 Å. P5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.48–1.51 Å. H1- is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.20 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Mn7+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1- atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mn7+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mn7+ and one P5+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-01

Other Number(s):: mp-1210948

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; MnP2HO8; H-Mn-O-P

OSTI Identifier:: 1733473

DOI:: https://doi.org/10.17188/1733473

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                    The Materials Project. Materials Data on MnP2HO8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1733473.

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                    The Materials Project. Materials Data on MnP2HO8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1733473

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                    The Materials Project. 2020.  
"Materials Data on MnP2HO8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1733473.  https://www.osti.gov/servlets/purl/1733473. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1733473,

  title        = {Materials Data on MnP2HO8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MnP2HO8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mn7+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 1.68–2.20 Å. P5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.48–1.51 Å. H1- is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.20 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Mn7+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1- atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mn7+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mn7+ and one P5+ atom.},

  doi          = {10.17188/1733473},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1733473

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