Materials Data on Mn3TeP2Pb3O14 by Materials Project

doi:10.17188/1757539

Title: Materials Data on Mn3TeP2Pb3O14 by Materials Project

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Abstract

Pb3TeMn3P2O14 crystallizes in the trigonal P321 space group. The structure is three-dimensional. Mn2+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with two equivalent TeO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. There are two shorter (2.05 Å) and two longer (2.08 Å) Mn–O bond lengths. Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.36–3.10 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent MnO4 tetrahedra. There is one shorter (1.54 Å) and three longer (1.57 Å) P–O bond length. Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent MnO4 tetrahedra. All Te–O bond lengths are 1.96 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to three equivalent Pb2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Mn2+, two equivalent Pb2+, and one P5+ atom. In the third O2- site, O2- is bonded in amore »« less

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1192249

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; Mn3TeP2Pb3O14; Mn-O-P-Pb-Te

OSTI Identifier:: 1757539

DOI:: https://doi.org/10.17188/1757539

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                    The Materials Project. Materials Data on Mn3TeP2Pb3O14 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1757539.

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                    The Materials Project. Materials Data on Mn3TeP2Pb3O14 by Materials Project.  United States.  doi:https://doi.org/10.17188/1757539

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                    The Materials Project. 2020.  
"Materials Data on Mn3TeP2Pb3O14 by Materials Project".  United States.  doi:https://doi.org/10.17188/1757539.  https://www.osti.gov/servlets/purl/1757539. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1757539,

  title        = {Materials Data on Mn3TeP2Pb3O14 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pb3TeMn3P2O14 crystallizes in the trigonal P321 space group. The structure is three-dimensional. Mn2+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with two equivalent TeO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. There are two shorter (2.05 Å) and two longer (2.08 Å) Mn–O bond lengths. Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.36–3.10 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent MnO4 tetrahedra. There is one shorter (1.54 Å) and three longer (1.57 Å) P–O bond length. Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent MnO4 tetrahedra. All Te–O bond lengths are 1.96 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to three equivalent Pb2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Mn2+, two equivalent Pb2+, and one P5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Mn2+, one Pb2+, and one Te6+ atom.},

  doi          = {10.17188/1757539},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1757539

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