Materials Data on EuZn(BO2)5 by Materials Project

doi:10.17188/1350549

Title: Materials Data on EuZn(BO2)5 by Materials Project

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Abstract

EuZn(BO2)5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Eu3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.32–2.69 Å. Zn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.06–2.42 Å. There are five inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.50 Å. In the second 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 1.35–1.39 Å. In the third B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.47–1.51 Å. In the fourth 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 1.37–1.39 Å. In the fifth B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are amore »« less

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1019730

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; B-Eu-O-Zn; EuZn(BO2)5; crystal structure

OSTI Identifier:: 1350549

DOI:: https://doi.org/10.17188/1350549

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                    Materials Data on EuZn(BO2)5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1350549.

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                    Materials Data on EuZn(BO2)5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1350549

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                    2020.  
"Materials Data on EuZn(BO2)5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1350549.  https://www.osti.gov/servlets/purl/1350549. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1350549,

  title        = {Materials Data on EuZn(BO2)5 by Materials Project},

  
  abstractNote = {EuZn(BO2)5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Eu3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.32–2.69 Å. Zn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.06–2.42 Å. There are five inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.50 Å. In the second 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 1.35–1.39 Å. In the third B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.47–1.51 Å. In the fourth 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 1.37–1.39 Å. In the fifth B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.47–1.51 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Zn2+ and two B3+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Zn2+ and two B3+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Eu3+ and two B3+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Eu3+ and one B3+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Zn2+ and two B3+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Eu3+ and two B3+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Eu3+, one Zn2+, and two B3+ atoms. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to one Eu3+ and two B3+ atoms. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to one Eu3+, two equivalent Zn2+, and one B3+ atom. In the tenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Eu3+ and two B3+ atoms.},

  doi          = {10.17188/1350549},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1350549

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