Materials Data on Ba2SrY2Cu2PtO10 by Materials Project

doi:10.17188/1751810

Title: Materials Data on Ba2SrY2Cu2PtO10 by Materials Project

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Abstract

Ba2SrY2PtCu2O10 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.51–3.26 Å. Sr2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.63 Å) and four longer (2.68 Å) Sr–O bond lengths. Y3+ is bonded to seven O2- atoms to form distorted YO7 pentagonal bipyramids that share edges with two equivalent YO7 pentagonal bipyramids and a faceface with one PtO6 octahedra. There are a spread of Y–O bond distances ranging from 2.27–2.51 Å. Pt6+ is bonded to six O2- atoms to form PtO6 octahedra that share faces with two equivalent YO7 pentagonal bipyramids. There are two shorter (2.04 Å) and four longer (2.06 Å) Pt–O bond lengths. Cu1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Cu–O bond distances ranging from 1.96–2.58 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ba2+, one Sr2+, one Y3+, one Pt6+, and one Cu1+ atom to form a mixture of distorted edge, face, and corner-sharing OBa2SrYCuPt octahedra. Themore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-1214627

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; Ba2SrY2Cu2PtO10; Ba-Cu-O-Pt-Sr-Y

OSTI Identifier:: 1751810

DOI:: https://doi.org/10.17188/1751810

Citation Formats


                    The Materials Project. Materials Data on Ba2SrY2Cu2PtO10 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751810.

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                    The Materials Project. Materials Data on Ba2SrY2Cu2PtO10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1751810

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                    The Materials Project. 2020.  
"Materials Data on Ba2SrY2Cu2PtO10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1751810.  https://www.osti.gov/servlets/purl/1751810. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1751810,

  title        = {Materials Data on Ba2SrY2Cu2PtO10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba2SrY2PtCu2O10 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.51–3.26 Å. Sr2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.63 Å) and four longer (2.68 Å) Sr–O bond lengths. Y3+ is bonded to seven O2- atoms to form distorted YO7 pentagonal bipyramids that share edges with two equivalent YO7 pentagonal bipyramids and a faceface with one PtO6 octahedra. There are a spread of Y–O bond distances ranging from 2.27–2.51 Å. Pt6+ is bonded to six O2- atoms to form PtO6 octahedra that share faces with two equivalent YO7 pentagonal bipyramids. There are two shorter (2.04 Å) and four longer (2.06 Å) Pt–O bond lengths. Cu1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Cu–O bond distances ranging from 1.96–2.58 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ba2+, one Sr2+, one Y3+, one Pt6+, and one Cu1+ atom to form a mixture of distorted edge, face, and corner-sharing OBa2SrYCuPt octahedra. The corner-sharing octahedra tilt angles range from 0–72°. In the second O2- site, O2- is bonded to three equivalent Ba2+, one Y3+, one Pt6+, and one Cu1+ atom to form distorted OBa3YCuPt octahedra that share corners with eleven OBa2SrYCuPt octahedra, edges with two equivalent OBa3YCuPt octahedra, and faces with four equivalent OBa2SrYCuPt octahedra. The corner-sharing octahedra tilt angles range from 0–66°. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+, one Sr2+, two equivalent Y3+, and one Cu1+ atom.},

  doi          = {10.17188/1751810},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1751810

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