Materials Data on SrMgB2O5 by Materials Project

doi:10.17188/1351489

Title: Materials Data on SrMgB2O5 by Materials Project

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Abstract

MgSrB2O5 crystallizes in the monoclinic P2_1/c 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 2.55–3.00 Å. Mg2+ is bonded to five O2- atoms to form edge-sharing MgO5 square pyramids. There are a spread of Mg–O bond distances ranging from 2.01–2.08 Å. 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 1.36–1.44 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.37 Å) and one longer (1.43 Å) B–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one Mg2+, and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+, two equivalent Mg2+, and one B3+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Sr2+, one Mg2+, and one B3+ atom. In themore »« less

Authors:: The Materials Project

Publication Date:: Fri May 12 00:00:00 EDT 2017

Other Number(s):: mp-1020634

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; SrMgB2O5; B-Mg-O-Sr

OSTI Identifier:: 1351489

DOI:: https://doi.org/10.17188/1351489

Citation Formats


                    The Materials Project. Materials Data on SrMgB2O5 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1351489.

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                    The Materials Project. Materials Data on SrMgB2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1351489

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                    The Materials Project. 2017.  
"Materials Data on SrMgB2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1351489.  https://www.osti.gov/servlets/purl/1351489. Pub date:Fri May 12 00:00:00 EDT 2017

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@article{osti_1351489,

  title        = {Materials Data on SrMgB2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgSrB2O5 crystallizes in the monoclinic P2_1/c 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 2.55–3.00 Å. Mg2+ is bonded to five O2- atoms to form edge-sharing MgO5 square pyramids. There are a spread of Mg–O bond distances ranging from 2.01–2.08 Å. 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 1.36–1.44 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.37 Å) and one longer (1.43 Å) B–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one Mg2+, and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+, two equivalent Mg2+, and one B3+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Sr2+, one Mg2+, and one B3+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one Mg2+, and one B3+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sr2+ and two B3+ atoms.},

  doi          = {10.17188/1351489},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 12 00:00:00 EDT 2017},

  month        = {Fri May 12 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1351489

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