Materials Data on Eu4BClO7 by Materials Project

doi:10.17188/1678969

Title: Materials Data on Eu4BClO7 by Materials Project

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Abstract

Eu4BO7Cl crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 6-coordinate geometry to six O2- and one Cl1- atom. There are a spread of Eu–O bond distances ranging from 2.30–2.43 Å. The Eu–Cl bond length is 3.20 Å. In the second Eu3+ site, Eu3+ is bonded in a 8-coordinate geometry to six O2- and one Cl1- atom. There are a spread of Eu–O bond distances ranging from 2.31–2.48 Å. The Eu–Cl bond length is 3.02 Å. In the third Eu3+ site, Eu3+ is bonded in a 8-coordinate geometry to seven O2- and one Cl1- atom. There are a spread of Eu–O bond distances ranging from 2.34–2.80 Å. The Eu–Cl bond length is 3.22 Å. In the fourth Eu3+ site, Eu3+ is bonded in a 7-coordinate geometry to five O2- and two equivalent Cl1- atoms. There are a spread of Eu–O bond distances ranging from 2.29–2.43 Å. There are one shorter (2.98 Å) and one longer (3.22 Å) Eu–Cl bond lengths. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.37 Å) and one longer (1.38more »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1199302

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; Eu4BClO7; B-Cl-Eu-O

OSTI Identifier:: 1678969

DOI:: https://doi.org/10.17188/1678969

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                    The Materials Project. Materials Data on Eu4BClO7 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1678969.

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                    The Materials Project. Materials Data on Eu4BClO7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1678969

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                    The Materials Project. 2019.  
"Materials Data on Eu4BClO7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1678969.  https://www.osti.gov/servlets/purl/1678969. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1678969,

  title        = {Materials Data on Eu4BClO7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Eu4BO7Cl crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 6-coordinate geometry to six O2- and one Cl1- atom. There are a spread of Eu–O bond distances ranging from 2.30–2.43 Å. The Eu–Cl bond length is 3.20 Å. In the second Eu3+ site, Eu3+ is bonded in a 8-coordinate geometry to six O2- and one Cl1- atom. There are a spread of Eu–O bond distances ranging from 2.31–2.48 Å. The Eu–Cl bond length is 3.02 Å. In the third Eu3+ site, Eu3+ is bonded in a 8-coordinate geometry to seven O2- and one Cl1- atom. There are a spread of Eu–O bond distances ranging from 2.34–2.80 Å. The Eu–Cl bond length is 3.22 Å. In the fourth Eu3+ site, Eu3+ is bonded in a 7-coordinate geometry to five O2- and two equivalent Cl1- atoms. There are a spread of Eu–O bond distances ranging from 2.29–2.43 Å. There are one shorter (2.98 Å) and one longer (3.22 Å) Eu–Cl bond lengths. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.37 Å) and one longer (1.38 Å) B–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra. In the second O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Eu3+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two Eu3+ and one B3+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three Eu3+ and one B3+ atom. In the sixth O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra. In the seventh O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra. Cl1- is bonded in a 5-coordinate geometry to five Eu3+ atoms.},

  doi          = {10.17188/1678969},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1678969

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