Materials Data on CaSnO3 by Materials Project

doi:10.17188/1207943

Title: Materials Data on CaSnO3 by Materials Project

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Abstract

CaSnO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form distorted CaO6 pentagonal pyramids that share corners with nine equivalent SnO6 octahedra, edges with three equivalent CaO6 pentagonal pyramids, and a faceface with one SnO6 octahedra. The corner-sharing octahedra tilt angles range from 40–63°. There are three shorter (2.31 Å) and three longer (2.49 Å) Ca–O bond lengths. Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with nine equivalent CaO6 pentagonal pyramids, edges with three equivalent SnO6 octahedra, and a faceface with one CaO6 pentagonal pyramid. There are three shorter (2.09 Å) and three longer (2.15 Å) Sn–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Ca2+ and two equivalent Sn4+ atoms.

Publication Date:: 2020-07-15

Other Number(s):: mp-4190

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Ca-O-Sn; CaSnO3; crystal structure

OSTI Identifier:: 1207943

DOI:: https://doi.org/10.17188/1207943

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                    Materials Data on CaSnO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207943.

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                    Materials Data on CaSnO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207943

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                    2020.  
"Materials Data on CaSnO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207943.  https://www.osti.gov/servlets/purl/1207943. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1207943,

  title        = {Materials Data on CaSnO3 by Materials Project},

  
  abstractNote = {CaSnO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form distorted CaO6 pentagonal pyramids that share corners with nine equivalent SnO6 octahedra, edges with three equivalent CaO6 pentagonal pyramids, and a faceface with one SnO6 octahedra. The corner-sharing octahedra tilt angles range from 40–63°. There are three shorter (2.31 Å) and three longer (2.49 Å) Ca–O bond lengths. Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with nine equivalent CaO6 pentagonal pyramids, edges with three equivalent SnO6 octahedra, and a faceface with one CaO6 pentagonal pyramid. There are three shorter (2.09 Å) and three longer (2.15 Å) Sn–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Ca2+ and two equivalent Sn4+ atoms.},

  doi          = {10.17188/1207943},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1207943

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