Materials Data on MnV2P2(H4O7)2 by Materials Project

doi:10.17188/1285439

Title: Materials Data on MnV2P2(H4O7)2 by Materials Project

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Abstract

V2MnP2(H2O5)2(H2O2)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of four water molecules and one V2MnP2(H2O5)2 ribbon oriented in the (1, 1, 0) direction. In the V2MnP2(H2O5)2 ribbon, V4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.69–1.92 Å. Mn2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.14 Å) and two longer (2.40 Å) Mn–O bond lengths. P5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.60–1.63 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one V4+ and one P5+ atom. In the second O2- site, O2- is bonded in a water-like geometry to onemore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-698721

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; MnV2P2(H4O7)2; H-Mn-O-P-V

OSTI Identifier:: 1285439

DOI:: https://doi.org/10.17188/1285439

Citation Formats


                    The Materials Project. Materials Data on MnV2P2(H4O7)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1285439.

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                    The Materials Project. Materials Data on MnV2P2(H4O7)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1285439

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                    The Materials Project. 2020.  
"Materials Data on MnV2P2(H4O7)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1285439.  https://www.osti.gov/servlets/purl/1285439. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1285439,

  title        = {Materials Data on MnV2P2(H4O7)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {V2MnP2(H2O5)2(H2O2)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of four water molecules and one V2MnP2(H2O5)2 ribbon oriented in the (1, 1, 0) direction. In the V2MnP2(H2O5)2 ribbon, V4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.69–1.92 Å. Mn2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.14 Å) and two longer (2.40 Å) Mn–O bond lengths. P5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.60–1.63 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one V4+ and one P5+ atom. In the second O2- site, O2- is bonded in a water-like geometry to one P5+ and one H1+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one V4+, one Mn2+, and one H1+ atom. In the fourth O2- site, O2- is bonded in a water-like geometry to one V4+ and one Mn2+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one V4+ and one P5+ atom.},

  doi          = {10.17188/1285439},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1285439

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