Materials Data on Mn2PO5 by Materials Project

doi:10.17188/1299858

Title: Materials Data on Mn2PO5 by Materials Project

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Abstract

Mn2PO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Mn+2.50+ sites. In the first Mn+2.50+ site, Mn+2.50+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Mn–O bond distances ranging from 2.14–2.67 Å. In the second Mn+2.50+ site, Mn+2.50+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 1.92–2.50 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Mn+2.50+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn+2.50+ and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Mn+2.50+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to four Mn+2.50+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mn+2.50+ and onemore » P5+ atom.« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-770541

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; Mn2PO5; Mn-O-P

OSTI Identifier:: 1299858

DOI:: https://doi.org/10.17188/1299858

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                    The Materials Project. Materials Data on Mn2PO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1299858.

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                    The Materials Project. Materials Data on Mn2PO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1299858

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                    The Materials Project. 2020.  
"Materials Data on Mn2PO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1299858.  https://www.osti.gov/servlets/purl/1299858. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1299858,

  title        = {Materials Data on Mn2PO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mn2PO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Mn+2.50+ sites. In the first Mn+2.50+ site, Mn+2.50+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Mn–O bond distances ranging from 2.14–2.67 Å. In the second Mn+2.50+ site, Mn+2.50+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 1.92–2.50 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Mn+2.50+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn+2.50+ and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Mn+2.50+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to four Mn+2.50+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mn+2.50+ and one P5+ atom.},

  doi          = {10.17188/1299858},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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Materials Data on Mn2PO5 (SG:141) by Materials Project

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Materials Data on Mn2PO5 by Materials Project

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Mn2PO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Mn+2.50+ sites. In the first Mn+2.50+ site, Mn+2.50+ is bonded to six O2- atoms to form distorted MnO6 octahedra that share corners with four equivalent PO4 tetrahedra and edges with two equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.94–2.28 Å. In the second Mn+2.50+ site, Mn+2.50+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.07–2.40 Å. P5+ is bonded to four O2- atoms to form PO4more »« less
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