Materials Data on V2Zn3TePb3O14 by Materials Project

doi:10.17188/1656250

Title: Materials Data on V2Zn3TePb3O14 by Materials Project

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Abstract

V2Zn3Pb3TeO14 crystallizes in the trigonal P321 space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent ZnO4 tetrahedra. There is one shorter (1.72 Å) and three longer (1.76 Å) V–O bond length. Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with two equivalent TeO6 octahedra and corners with two equivalent VO4 tetrahedra. The corner-sharing octahedral tilt angles are 61°. There is two shorter (1.96 Å) and two longer (2.00 Å) Zn–O bond length. Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.37–3.17 Å. Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent ZnO4 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 one V5+ and three equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Zn2+, one Pb2+, and one Te6+ atom. In the third O2- site, O2- is bonded in a 2-coordinatemore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1190411

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; V2Zn3TePb3O14; O-Pb-Te-V-Zn

OSTI Identifier:: 1656250

DOI:: https://doi.org/10.17188/1656250

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                    The Materials Project. Materials Data on V2Zn3TePb3O14 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1656250.

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                    The Materials Project. Materials Data on V2Zn3TePb3O14 by Materials Project.  United States.  doi:https://doi.org/10.17188/1656250

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                    The Materials Project. 2019.  
"Materials Data on V2Zn3TePb3O14 by Materials Project".  United States.  doi:https://doi.org/10.17188/1656250.  https://www.osti.gov/servlets/purl/1656250. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1656250,

  title        = {Materials Data on V2Zn3TePb3O14 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {V2Zn3Pb3TeO14 crystallizes in the trigonal P321 space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent ZnO4 tetrahedra. There is one shorter (1.72 Å) and three longer (1.76 Å) V–O bond length. Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with two equivalent TeO6 octahedra and corners with two equivalent VO4 tetrahedra. The corner-sharing octahedral tilt angles are 61°. There is two shorter (1.96 Å) and two longer (2.00 Å) Zn–O bond length. Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.37–3.17 Å. Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent ZnO4 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 one V5+ and three equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Zn2+, one Pb2+, and one Te6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one V5+, one Zn2+, and two equivalent Pb2+ atoms.},

  doi          = {10.17188/1656250},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1656250

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