Materials Data on Sr2Be2B2O7 by Materials Project

doi:10.17188/1269380

Title: Materials Data on Sr2Be2B2O7 by Materials Project

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Abstract

Sr2Be2B2O7 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six equivalent O2- atoms to form distorted SrO6 pentagonal pyramids that share corners with six equivalent BeO4 tetrahedra. All Sr–O bond lengths are 2.53 Å. In the second Sr2+ site, Sr2+ is bonded in a distorted q6 geometry to nine O2- atoms. There are three shorter (2.73 Å) and six longer (2.79 Å) Sr–O bond lengths. Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share corners with three equivalent SrO6 pentagonal pyramids and a cornercorner with one BeO4 tetrahedra. There is one shorter (1.58 Å) and three longer (1.66 Å) Be–O bond length. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.38 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+, one Be2+, and one B3+ atom. In the second O2- site, O2- is bonded in a linear geometry to three equivalent Sr2+ and two equivalent Be2+ atoms.

Authors:: The Materials Project

Publication Date:: Wed May 10 00:00:00 EDT 2017

Other Number(s):: mp-556498

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; Sr2Be2B2O7; B-Be-O-Sr

OSTI Identifier:: 1269380

DOI:: https://doi.org/10.17188/1269380

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                    The Materials Project. Materials Data on Sr2Be2B2O7 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1269380.

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                    The Materials Project. Materials Data on Sr2Be2B2O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269380

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                    The Materials Project. 2017.  
"Materials Data on Sr2Be2B2O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269380.  https://www.osti.gov/servlets/purl/1269380. Pub date:Wed May 10 00:00:00 EDT 2017

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@article{osti_1269380,

  title        = {Materials Data on Sr2Be2B2O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2Be2B2O7 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six equivalent O2- atoms to form distorted SrO6 pentagonal pyramids that share corners with six equivalent BeO4 tetrahedra. All Sr–O bond lengths are 2.53 Å. In the second Sr2+ site, Sr2+ is bonded in a distorted q6 geometry to nine O2- atoms. There are three shorter (2.73 Å) and six longer (2.79 Å) Sr–O bond lengths. Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share corners with three equivalent SrO6 pentagonal pyramids and a cornercorner with one BeO4 tetrahedra. There is one shorter (1.58 Å) and three longer (1.66 Å) Be–O bond length. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.38 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+, one Be2+, and one B3+ atom. In the second O2- site, O2- is bonded in a linear geometry to three equivalent Sr2+ and two equivalent Be2+ atoms.},

  doi          = {10.17188/1269380},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed May 10 00:00:00 EDT 2017},

  month        = {Wed May 10 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1269380

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