Materials Data on Ba8Dy3(Pt2O9)2 by Materials Project

doi:10.17188/1685671

Title: Materials Data on Ba8Dy3(Pt2O9)2 by Materials Project

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Abstract

Ba8Dy3(Pt2O9)2 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to nine O2- atoms. There are three shorter (2.84 Å) and six longer (3.01 Å) Ba–O bond lengths. Dy3+ is bonded to six O2- atoms to form DyO6 octahedra that share corners with two equivalent PtO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Dy–O bond lengths are 2.22 Å. There are two inequivalent Pt+2.75+ sites. In the first Pt+2.75+ site, Pt+2.75+ is bonded to six equivalent O2- atoms to form PtO6 octahedra that share corners with six equivalent DyO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pt–O bond lengths are 2.03 Å. In the second Pt+2.75+ site, Pt+2.75+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ba2+, one Dy3+, and one Pt+2.75+ atom to form a mixture of distorted face and corner-sharing OBa4DyPt octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Ba2+,more » one Dy3+, and one Pt+2.75+ atom.« less

Publication Date:: 2020-04-30

Other Number(s):: mp-1214436

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; Ba-Dy-O-Pt; Ba8Dy3(Pt2O9)2; crystal structure

OSTI Identifier:: 1685671

DOI:: https://doi.org/10.17188/1685671

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                    Materials Data on Ba8Dy3(Pt2O9)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685671.

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                    Materials Data on Ba8Dy3(Pt2O9)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685671

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                    2020.  
"Materials Data on Ba8Dy3(Pt2O9)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685671.  https://www.osti.gov/servlets/purl/1685671. Pub date:Thu Apr 30 04:00:00 UTC 2020

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@article{osti_1685671,

  title        = {Materials Data on Ba8Dy3(Pt2O9)2 by Materials Project},

  
  abstractNote = {Ba8Dy3(Pt2O9)2 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to nine O2- atoms. There are three shorter (2.84 Å) and six longer (3.01 Å) Ba–O bond lengths. Dy3+ is bonded to six O2- atoms to form DyO6 octahedra that share corners with two equivalent PtO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Dy–O bond lengths are 2.22 Å. There are two inequivalent Pt+2.75+ sites. In the first Pt+2.75+ site, Pt+2.75+ is bonded to six equivalent O2- atoms to form PtO6 octahedra that share corners with six equivalent DyO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pt–O bond lengths are 2.03 Å. In the second Pt+2.75+ site, Pt+2.75+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ba2+, one Dy3+, and one Pt+2.75+ atom to form a mixture of distorted face and corner-sharing OBa4DyPt octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Dy3+, and one Pt+2.75+ atom.},

  doi          = {10.17188/1685671},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1685671

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