Materials Data on Dy4BClO7 by Materials Project

doi:10.17188/1729658

Title: Materials Data on Dy4BClO7 by Materials Project

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Abstract

Dy4BO7Cl crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Dy–O bond distances ranging from 2.23–2.37 Å. In the second Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to six O2- and one Cl1- atom. There are a spread of Dy–O bond distances ranging from 2.28–2.39 Å. The Dy–Cl bond length is 2.98 Å. In the third Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to seven O2- and one Cl1- atom. There are a spread of Dy–O bond distances ranging from 2.25–2.77 Å. The Dy–Cl bond length is 3.26 Å. In the fourth Dy3+ site, Dy3+ is bonded in a 5-coordinate geometry to five O2- and one Cl1- atom. There are a spread of Dy–O bond distances ranging from 2.21–2.36 Å. The Dy–Cl bond length is 2.90 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.38 Å) and one longer (1.39 Å) B–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bondedmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1201047

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; Dy4BClO7; B-Cl-Dy-O

OSTI Identifier:: 1729658

DOI:: https://doi.org/10.17188/1729658

Citation Formats


                    The Materials Project. Materials Data on Dy4BClO7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1729658.

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                    The Materials Project. Materials Data on Dy4BClO7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1729658

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                    The Materials Project. 2020.  
"Materials Data on Dy4BClO7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1729658.  https://www.osti.gov/servlets/purl/1729658. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1729658,

  title        = {Materials Data on Dy4BClO7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Dy4BO7Cl crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Dy–O bond distances ranging from 2.23–2.37 Å. In the second Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to six O2- and one Cl1- atom. There are a spread of Dy–O bond distances ranging from 2.28–2.39 Å. The Dy–Cl bond length is 2.98 Å. In the third Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to seven O2- and one Cl1- atom. There are a spread of Dy–O bond distances ranging from 2.25–2.77 Å. The Dy–Cl bond length is 3.26 Å. In the fourth Dy3+ site, Dy3+ is bonded in a 5-coordinate geometry to five O2- and one Cl1- atom. There are a spread of Dy–O bond distances ranging from 2.21–2.36 Å. The Dy–Cl bond length is 2.90 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.38 Å) and one longer (1.39 Å) B–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded to four Dy3+ atoms to form a mixture of edge and corner-sharing ODy4 tetrahedra. In the second O2- site, O2- is bonded to four Dy3+ atoms to form a mixture of edge and corner-sharing ODy4 tetrahedra. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Dy3+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Dy3+ and one B3+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three Dy3+ and one B3+ atom. In the sixth O2- site, O2- is bonded to four Dy3+ atoms to form a mixture of edge and corner-sharing ODy4 tetrahedra. In the seventh O2- site, O2- is bonded to four Dy3+ atoms to form a mixture of distorted edge and corner-sharing ODy4 tetrahedra. Cl1- is bonded in a 2-coordinate geometry to three Dy3+ atoms.},

  doi          = {10.17188/1729658},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1729658

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