Materials Data on Cd3(Pt3O4)10 by Materials Project

doi:10.17188/1291504

Title: Materials Data on Cd3(Pt3O4)10 by Materials Project

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Abstract

Cd3(Pt3O4)10 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are thirteen inequivalent Pt+2.47+ sites. In the first Pt+2.47+ site, Pt+2.47+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Pt–O bond distances ranging from 1.99–2.06 Å. In the second Pt+2.47+ site, Pt+2.47+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.00 Å) and two longer (2.06 Å) Pt–O bond lengths. In the third Pt+2.47+ site, Pt+2.47+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.03 Å) and two longer (2.05 Å) Pt–O bond lengths. In the fourth Pt+2.47+ site, Pt+2.47+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.01 Å) and two longer (2.05 Å) Pt–O bond lengths. In the fifth Pt+2.47+ site, Pt+2.47+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.01 Å) and two longer (2.04 Å) Pt–O bond lengths. In the sixth Pt+2.47+ site, Pt+2.47+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.01 Å) and two longer (2.04 Å) Pt–Omore »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-759817

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; Cd3(Pt3O4)10; Cd-O-Pt

OSTI Identifier:: 1291504

DOI:: https://doi.org/10.17188/1291504

Citation Formats


                    The Materials Project. Materials Data on Cd3(Pt3O4)10 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1291504.

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                    The Materials Project. Materials Data on Cd3(Pt3O4)10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1291504

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                    The Materials Project. 2020.  
"Materials Data on Cd3(Pt3O4)10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1291504.  https://www.osti.gov/servlets/purl/1291504. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1291504,

  title        = {Materials Data on Cd3(Pt3O4)10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cd3(Pt3O4)10 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are thirteen inequivalent Pt+2.47+ sites. In the first Pt+2.47+ site, Pt+2.47+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Pt–O bond distances ranging from 1.99–2.06 Å. In the second Pt+2.47+ site, Pt+2.47+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.00 Å) and two longer (2.06 Å) Pt–O bond lengths. In the third Pt+2.47+ site, Pt+2.47+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.03 Å) and two longer (2.05 Å) Pt–O bond lengths. In the fourth Pt+2.47+ site, Pt+2.47+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.01 Å) and two longer (2.05 Å) Pt–O bond lengths. In the fifth Pt+2.47+ site, Pt+2.47+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.01 Å) and two longer (2.04 Å) Pt–O bond lengths. In the sixth Pt+2.47+ site, Pt+2.47+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.01 Å) and two longer (2.04 Å) Pt–O bond lengths. In the seventh Pt+2.47+ site, Pt+2.47+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.03 Å) and two longer (2.04 Å) Pt–O bond lengths. In the eighth Pt+2.47+ site, Pt+2.47+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.01 Å) and two longer (2.04 Å) Pt–O bond lengths. In the ninth Pt+2.47+ site, Pt+2.47+ is bonded in a square co-planar geometry to four O2- atoms. All Pt–O bond lengths are 2.04 Å. In the tenth Pt+2.47+ site, Pt+2.47+ is bonded in a square co-planar geometry to four O2- atoms. All Pt–O bond lengths are 2.04 Å. In the eleventh Pt+2.47+ site, Pt+2.47+ is bonded in a square co-planar geometry to four O2- atoms. All Pt–O bond lengths are 2.04 Å. In the twelfth Pt+2.47+ site, Pt+2.47+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. All Pt–O bond lengths are 2.01 Å. In the thirteenth Pt+2.47+ site, Pt+2.47+ is bonded in a square co-planar geometry to four O2- atoms. All Pt–O bond lengths are 2.01 Å. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Cd–O bond lengths are 2.41 Å. In the second Cd2+ site, Cd2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.40 Å) and six longer (2.41 Å) Cd–O bond lengths. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded to three Pt+2.47+ and one Cd2+ atom to form a mixture of edge and corner-sharing OCdPt3 trigonal pyramids. In the second O2- site, O2- is bonded in a trigonal planar geometry to three Pt+2.47+ atoms. In the third O2- site, O2- is bonded to three Pt+2.47+ and one Cd2+ atom to form a mixture of edge and corner-sharing OCdPt3 trigonal pyramids. In the fourth O2- site, O2- is bonded to three Pt+2.47+ and one Cd2+ atom to form a mixture of edge and corner-sharing OCdPt3 trigonal pyramids. In the fifth O2- site, O2- is bonded to three Pt+2.47+ and one Cd2+ atom to form a mixture of edge and corner-sharing OCdPt3 trigonal pyramids. In the sixth O2- site, O2- is bonded to three Pt+2.47+ and one Cd2+ atom to form a mixture of edge and corner-sharing OCdPt3 trigonal pyramids. In the seventh O2- site, O2- is bonded in a trigonal planar geometry to three Pt+2.47+ atoms. In the eighth O2- site, O2- is bonded in a trigonal planar geometry to three Pt+2.47+ atoms. In the ninth O2- site, O2- is bonded in a trigonal planar geometry to three Pt+2.47+ atoms. In the tenth O2- site, O2- is bonded to three Pt+2.47+ and one Cd2+ atom to form a mixture of edge and corner-sharing OCdPt3 trigonal pyramids.},

  doi          = {10.17188/1291504},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1291504

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