Materials Data on CeBPt3 by Materials Project

doi:10.17188/1197647

Title: Materials Data on CeBPt3 by Materials Project

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Abstract

CePt3B is (Cubic) Perovskite structured and crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Ce3+ is bonded in a 12-coordinate geometry to twelve Pt2- atoms. There are a spread of Ce–Pt bond distances ranging from 2.91–3.43 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a distorted bent 120 degrees geometry to four equivalent Ce3+ and two equivalent B3+ atoms. Both Pt–B bond lengths are 2.24 Å. In the second Pt2- site, Pt2- is bonded in a 5-coordinate geometry to four equivalent Ce3+ and one B3+ atom. The Pt–B bond length is 2.13 Å. B3+ is bonded in a 5-coordinate geometry to five Pt2- atoms.

Publication Date:: 2020-07-14

Other Number(s):: mp-22435

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-Ce-Pt; CeBPt3; crystal structure

OSTI Identifier:: 1197647

DOI:: https://doi.org/10.17188/1197647

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                    Materials Data on CeBPt3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197647.

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                    Materials Data on CeBPt3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1197647

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                    2020.  
"Materials Data on CeBPt3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1197647.  https://www.osti.gov/servlets/purl/1197647. Pub date:Tue Jul 14 04:00:00 UTC 2020

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@article{osti_1197647,

  title        = {Materials Data on CeBPt3 by Materials Project},

  
  abstractNote = {CePt3B is (Cubic) Perovskite structured and crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Ce3+ is bonded in a 12-coordinate geometry to twelve Pt2- atoms. There are a spread of Ce–Pt bond distances ranging from 2.91–3.43 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a distorted bent 120 degrees geometry to four equivalent Ce3+ and two equivalent B3+ atoms. Both Pt–B bond lengths are 2.24 Å. In the second Pt2- site, Pt2- is bonded in a 5-coordinate geometry to four equivalent Ce3+ and one B3+ atom. The Pt–B bond length is 2.13 Å. B3+ is bonded in a 5-coordinate geometry to five Pt2- atoms.},

  doi          = {10.17188/1197647},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1197647

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