Materials Data on V3SnO8 by Materials Project

doi:10.17188/1305691

Title: Materials Data on V3SnO8 by Materials Project

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Abstract

V3SnO8 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent V+4.67+ sites. In the first V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form VO6 octahedra that share a cornercorner with one SnO6 octahedra, corners with two equivalent VO6 octahedra, an edgeedge with one VO6 octahedra, and edges with two equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 26–27°. There are a spread of V–O bond distances ranging from 1.85–2.10 Å. In the second V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form distorted VO6 octahedra that share a cornercorner with one SnO6 octahedra, corners with two equivalent VO6 octahedra, an edgeedge with one VO6 octahedra, and an edgeedge with one SnO6 octahedra. The corner-sharing octahedra tilt angles range from 18–27°. There are a spread of V–O bond distances ranging from 1.74–2.12 Å. In the third V+4.67+ site, V+4.67+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.68–2.38 Å. Sn2+ is bonded to six O2- atoms to form distorted SnO6 octahedra that share corners with two VO6 octahedra, corners with two equivalent SnO6 octahedra, and edgesmore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-778681

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; V3SnO8; O-Sn-V

OSTI Identifier:: 1305691

DOI:: https://doi.org/10.17188/1305691

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                    The Materials Project. Materials Data on V3SnO8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1305691.

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                    The Materials Project. Materials Data on V3SnO8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1305691

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                    The Materials Project. 2020.  
"Materials Data on V3SnO8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1305691.  https://www.osti.gov/servlets/purl/1305691. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1305691,

  title        = {Materials Data on V3SnO8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {V3SnO8 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent V+4.67+ sites. In the first V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form VO6 octahedra that share a cornercorner with one SnO6 octahedra, corners with two equivalent VO6 octahedra, an edgeedge with one VO6 octahedra, and edges with two equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 26–27°. There are a spread of V–O bond distances ranging from 1.85–2.10 Å. In the second V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form distorted VO6 octahedra that share a cornercorner with one SnO6 octahedra, corners with two equivalent VO6 octahedra, an edgeedge with one VO6 octahedra, and an edgeedge with one SnO6 octahedra. The corner-sharing octahedra tilt angles range from 18–27°. There are a spread of V–O bond distances ranging from 1.74–2.12 Å. In the third V+4.67+ site, V+4.67+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.68–2.38 Å. Sn2+ is bonded to six O2- atoms to form distorted SnO6 octahedra that share corners with two VO6 octahedra, corners with two equivalent SnO6 octahedra, and edges with three VO6 octahedra. The corner-sharing octahedra tilt angles range from 18–34°. There are a spread of Sn–O bond distances ranging from 1.99–2.26 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.67+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two V+4.67+ and two equivalent Sn2+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to two V+4.67+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.67+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two V+4.67+ and one Sn2+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V+4.67+ and one Sn2+ atom. In the seventh O2- site, O2- is bonded to three V+4.67+ and one Sn2+ atom to form distorted corner-sharing OV3Sn trigonal pyramids. In the eighth O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent V+4.67+ and one Sn2+ atom.},

  doi          = {10.17188/1305691},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1305691

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