Materials Data on AgBi2WO8 by Materials Project

doi:10.17188/1733110

Title: Materials Data on AgBi2WO8 by Materials Project

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Abstract

WAgBi2O8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with four equivalent BiO6 octahedra, corners with four equivalent BiO6 pentagonal pyramids, and corners with two equivalent AgO4 trigonal pyramids. The corner-sharing octahedra tilt angles range from 48–50°. There are a spread of W–O bond distances ranging from 1.87–2.03 Å. Ag2+ is bonded to four O2- atoms to form distorted AgO4 trigonal pyramids that share corners with two equivalent WO6 octahedra, corners with two equivalent BiO6 octahedra, corners with two equivalent BiO6 pentagonal pyramids, and an edgeedge with one BiO6 octahedra. The corner-sharing octahedra tilt angles range from 33–63°. There are a spread of Ag–O bond distances ranging from 2.01–2.45 Å. There are two inequivalent Bi4+ sites. In the first Bi4+ site, Bi4+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with four equivalent WO6 octahedra, corners with two equivalent AgO4 trigonal pyramids, edges with two equivalent BiO6 pentagonal pyramids, and an edgeedge with one AgO4 trigonal pyramid. The corner-sharing octahedra tilt angles range from 48–50°. There are a spread of Bi–O bond distances ranging from 2.07–2.21 Å. Inmore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1215004

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; AgBi2WO8; Ag-Bi-O-W

OSTI Identifier:: 1733110

DOI:: https://doi.org/10.17188/1733110

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                    The Materials Project. Materials Data on AgBi2WO8 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1733110.

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                    The Materials Project. Materials Data on AgBi2WO8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1733110

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                    The Materials Project. 2019.  
"Materials Data on AgBi2WO8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1733110.  https://www.osti.gov/servlets/purl/1733110. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1733110,

  title        = {Materials Data on AgBi2WO8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {WAgBi2O8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with four equivalent BiO6 octahedra, corners with four equivalent BiO6 pentagonal pyramids, and corners with two equivalent AgO4 trigonal pyramids. The corner-sharing octahedra tilt angles range from 48–50°. There are a spread of W–O bond distances ranging from 1.87–2.03 Å. Ag2+ is bonded to four O2- atoms to form distorted AgO4 trigonal pyramids that share corners with two equivalent WO6 octahedra, corners with two equivalent BiO6 octahedra, corners with two equivalent BiO6 pentagonal pyramids, and an edgeedge with one BiO6 octahedra. The corner-sharing octahedra tilt angles range from 33–63°. There are a spread of Ag–O bond distances ranging from 2.01–2.45 Å. There are two inequivalent Bi4+ sites. In the first Bi4+ site, Bi4+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with four equivalent WO6 octahedra, corners with two equivalent AgO4 trigonal pyramids, edges with two equivalent BiO6 pentagonal pyramids, and an edgeedge with one AgO4 trigonal pyramid. The corner-sharing octahedra tilt angles range from 48–50°. There are a spread of Bi–O bond distances ranging from 2.07–2.21 Å. In the second Bi4+ site, Bi4+ is bonded to six O2- atoms to form distorted BiO6 pentagonal pyramids that share corners with four equivalent WO6 octahedra, corners with two equivalent AgO4 trigonal pyramids, edges with two equivalent BiO6 octahedra, and an edgeedge with one BiO6 pentagonal pyramid. The corner-sharing octahedra tilt angles range from 22–56°. There are a spread of Bi–O bond distances ranging from 2.37–2.44 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one W6+ and two Bi4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one W6+ and one Bi4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one W6+, one Ag2+, and one Bi4+ atom. In the fourth O2- site, O2- is bonded to one Ag2+ and three Bi4+ atoms to form edge-sharing OAgBi3 tetrahedra. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ag2+ and one Bi4+ atom.},

  doi          = {10.17188/1733110},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1733110

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