Materials Data on SnBO3 by Materials Project

doi:10.17188/1301447

Title: Materials Data on SnBO3 by Materials Project

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Abstract

BSnO3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.42 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.39 Å) B–O bond length. There are two inequivalent Sn3+ sites. In the first Sn3+ site, Sn3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.15–2.32 Å. In the second Sn3+ site, Sn3+ is bonded in a trigonal bipyramidal geometry to five O2- atoms. There are a spread of Sn–O bond distances ranging from 2.00–2.10 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one B3+ and one Sn3+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one B3+ and one Sn3+ atom. In the third O2- site, O2- is bonded in amore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-01

Other Number(s):: mp-772724

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; SnBO3; B-O-Sn

OSTI Identifier:: 1301447

DOI:: https://doi.org/10.17188/1301447

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                    The Materials Project. Materials Data on SnBO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1301447.

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                    The Materials Project. Materials Data on SnBO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1301447

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                    The Materials Project. 2020.  
"Materials Data on SnBO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1301447.  https://www.osti.gov/servlets/purl/1301447. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1301447,

  title        = {Materials Data on SnBO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BSnO3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.42 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.39 Å) B–O bond length. There are two inequivalent Sn3+ sites. In the first Sn3+ site, Sn3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.15–2.32 Å. In the second Sn3+ site, Sn3+ is bonded in a trigonal bipyramidal geometry to five O2- atoms. There are a spread of Sn–O bond distances ranging from 2.00–2.10 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one B3+ and one Sn3+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one B3+ and one Sn3+ atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to one B3+ and one Sn3+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one B3+ and two Sn3+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one B3+ and two Sn3+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one B3+ and one Sn3+ atom.},

  doi          = {10.17188/1301447},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1301447

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