Materials Data on Sr3Sc(BO3)3 by Materials Project

doi:10.17188/1192571

Title: Materials Data on Sr3Sc(BO3)3 by Materials Project

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Abstract

Sr3Sc(BO3)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.52–2.95 Å. There are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sc–O bond lengths are 2.16 Å. In the second Sc3+ site, Sc3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sc–O bond lengths are 2.10 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.37 Å) and two longer (1.40 Å) B–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+, one Sc3+, and one B3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Sr2+ and one B3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Sr2+, one Sc3+, and one B3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-17562

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; Sr3Sc(BO3)3; B-O-Sc-Sr

OSTI Identifier:: 1192571

DOI:: https://doi.org/10.17188/1192571

Citation Formats


                    The Materials Project. Materials Data on Sr3Sc(BO3)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192571.

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                    The Materials Project. Materials Data on Sr3Sc(BO3)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192571

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                    The Materials Project. 2020.  
"Materials Data on Sr3Sc(BO3)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192571.  https://www.osti.gov/servlets/purl/1192571. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1192571,

  title        = {Materials Data on Sr3Sc(BO3)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr3Sc(BO3)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.52–2.95 Å. There are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sc–O bond lengths are 2.16 Å. In the second Sc3+ site, Sc3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sc–O bond lengths are 2.10 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.37 Å) and two longer (1.40 Å) B–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+, one Sc3+, and one B3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Sr2+ and one B3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Sr2+, one Sc3+, and one B3+ atom.},

  doi          = {10.17188/1192571},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1192571

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