Materials Data on MnV2Pb2O9 by Materials Project

doi:10.17188/1707284

Title: Materials Data on MnV2Pb2O9 by Materials Project

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Abstract

V2MnPb2O9 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with two equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of V–O bond distances ranging from 1.66–1.87 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with two equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are a spread of V–O bond distances ranging from 1.68–1.80 Å. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four VO4 tetrahedra and edges with two equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.92–1.97 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Pb–O bond distances ranging from 2.41–3.25 Å. In the second Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances rangingmore »« less

Authors:: The Materials Project

Publication Date:: Sat Nov 16 00:00:00 EST 2019

Other Number(s):: mp-1192942

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; MnV2Pb2O9; Mn-O-Pb-V

OSTI Identifier:: 1707284

DOI:: https://doi.org/10.17188/1707284

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                    The Materials Project. Materials Data on MnV2Pb2O9 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1707284.

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                    The Materials Project. Materials Data on MnV2Pb2O9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1707284

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                    The Materials Project. 2019.  
"Materials Data on MnV2Pb2O9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1707284.  https://www.osti.gov/servlets/purl/1707284. Pub date:Sat Nov 16 00:00:00 EST 2019

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@article{osti_1707284,

  title        = {Materials Data on MnV2Pb2O9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {V2MnPb2O9 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with two equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of V–O bond distances ranging from 1.66–1.87 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with two equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are a spread of V–O bond distances ranging from 1.68–1.80 Å. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four VO4 tetrahedra and edges with two equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.92–1.97 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Pb–O bond distances ranging from 2.41–3.25 Å. In the second Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.43–2.87 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and three Pb2+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one Pb2+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+ and two equivalent Mn4+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and three Pb2+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+, one Mn4+, and two Pb2+ atoms. In the sixth O2- site, O2- is bonded in a single-bond geometry to one V5+ and one Pb2+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn4+ and one Pb2+ atom.},

  doi          = {10.17188/1707284},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Nov 16 00:00:00 EST 2019},

  month        = {Sat Nov 16 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1707284

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