Materials Data on Y2BeAlBO7 by Materials Project

doi:10.17188/1284378

Title: Materials Data on Y2BeAlBO7 by Materials Project

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Abstract

Y2Al(BeB)O7 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Be2+ is bonded to four O2- atoms to form distorted BeO4 trigonal pyramids that share a cornercorner with one AlO5 trigonal bipyramid and an edgeedge with one AlO5 trigonal bipyramid. There are a spread of Be–O bond distances ranging from 1.55–1.78 Å. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 6-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.28–2.76 Å. In the second Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.14–2.78 Å. Al3+ is bonded to five O2- atoms to form AlO5 trigonal bipyramids that share a cornercorner with one BeO4 trigonal pyramid and an edgeedge with one BeO4 trigonal pyramid. There are a spread of Al–O bond distances ranging from 1.82–1.97 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.43 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometrymore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-686689

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; Y2BeAlBO7; Al-B-Be-O-Y

OSTI Identifier:: 1284378

DOI:: https://doi.org/10.17188/1284378

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                    The Materials Project. Materials Data on Y2BeAlBO7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1284378.

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                    The Materials Project. Materials Data on Y2BeAlBO7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1284378

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                    The Materials Project. 2020.  
"Materials Data on Y2BeAlBO7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1284378.  https://www.osti.gov/servlets/purl/1284378. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1284378,

  title        = {Materials Data on Y2BeAlBO7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y2Al(BeB)O7 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Be2+ is bonded to four O2- atoms to form distorted BeO4 trigonal pyramids that share a cornercorner with one AlO5 trigonal bipyramid and an edgeedge with one AlO5 trigonal bipyramid. There are a spread of Be–O bond distances ranging from 1.55–1.78 Å. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 6-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.28–2.76 Å. In the second Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.14–2.78 Å. Al3+ is bonded to five O2- atoms to form AlO5 trigonal bipyramids that share a cornercorner with one BeO4 trigonal pyramid and an edgeedge with one BeO4 trigonal pyramid. There are a spread of Al–O bond distances ranging from 1.82–1.97 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.43 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Y3+ and one B3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Y3+ and one Al3+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Be2+, two Y3+, and one Al3+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Y3+ and one Al3+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Be2+, one Y3+, and one Al3+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Be2+, one Y3+, and one B3+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to one Be2+, one Y3+, one Al3+, and one B3+ atom.},

  doi          = {10.17188/1284378},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1284378

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