Materials Data on VZnBiO5 by Materials Project

doi:10.17188/1322749

Title: Materials Data on VZnBiO5 by Materials Project

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Abstract

VZnBiO5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent BiO5 square pyramids and corners with four equivalent ZnO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.71–1.77 Å. Zn2+ is bonded to five O2- atoms to form ZnO5 trigonal bipyramids that share corners with two equivalent BiO5 square pyramids, corners with four equivalent VO4 tetrahedra, corners with two equivalent ZnO5 trigonal bipyramids, and an edgeedge with one ZnO5 trigonal bipyramid. There are a spread of Zn–O bond distances ranging from 2.02–2.12 Å. Bi3+ is bonded to five O2- atoms to form BiO5 square pyramids that share corners with three equivalent VO4 tetrahedra, corners with two equivalent ZnO5 trigonal bipyramids, and edges with two equivalent BiO5 square pyramids. There are a spread of Bi–O bond distances ranging from 2.16–2.48 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one V5+ and two equivalent Zn2+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+ and onemore »« less

Authors:: The Materials Project

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

Other Number(s):: mvc-7845

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; VZnBiO5; Bi-O-V-Zn

OSTI Identifier:: 1322749

DOI:: https://doi.org/10.17188/1322749

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                    The Materials Project. Materials Data on VZnBiO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1322749.

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                    The Materials Project. Materials Data on VZnBiO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1322749

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                    The Materials Project. 2020.  
"Materials Data on VZnBiO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1322749.  https://www.osti.gov/servlets/purl/1322749. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1322749,

  title        = {Materials Data on VZnBiO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {VZnBiO5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent BiO5 square pyramids and corners with four equivalent ZnO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.71–1.77 Å. Zn2+ is bonded to five O2- atoms to form ZnO5 trigonal bipyramids that share corners with two equivalent BiO5 square pyramids, corners with four equivalent VO4 tetrahedra, corners with two equivalent ZnO5 trigonal bipyramids, and an edgeedge with one ZnO5 trigonal bipyramid. There are a spread of Zn–O bond distances ranging from 2.02–2.12 Å. Bi3+ is bonded to five O2- atoms to form BiO5 square pyramids that share corners with three equivalent VO4 tetrahedra, corners with two equivalent ZnO5 trigonal bipyramids, and edges with two equivalent BiO5 square pyramids. There are a spread of Bi–O bond distances ranging from 2.16–2.48 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one V5+ and two equivalent Zn2+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+ and one Bi3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and two equivalent Bi3+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+ and two equivalent Zn2+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Zn2+ and two equivalent Bi3+ atoms.},

  doi          = {10.17188/1322749},

  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/10.17188/1322749

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