Materials Data on Eu2ZnP3Pt7 by Materials Project

doi:10.17188/1727095

Title: Materials Data on Eu2ZnP3Pt7 by Materials Project

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Abstract

Eu2Pt7ZnP3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Eu+2.50+ is bonded in a 9-coordinate geometry to nine Pt2- atoms. There are a spread of Eu–Pt bond distances ranging from 3.13–3.49 Å. There are four inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 12-coordinate geometry to two equivalent Eu+2.50+, six Pt2-, two equivalent Zn2+, and two equivalent P+2.33+ atoms. There are two shorter (2.82 Å) and four longer (2.91 Å) Pt–Pt bond lengths. Both Pt–Zn bond lengths are 2.82 Å. Both Pt–P bond lengths are 2.44 Å. In the second Pt2- site, Pt2- is bonded in a 12-coordinate geometry to two equivalent Eu+2.50+, six Pt2-, two equivalent Zn2+, and two equivalent P+2.33+ atoms. Both Pt–Pt bond lengths are 2.83 Å. Both Pt–Zn bond lengths are 2.83 Å. Both Pt–P bond lengths are 2.43 Å. In the third Pt2- site, Pt2- is bonded in a 3-coordinate geometry to five equivalent Eu+2.50+ and three P+2.33+ atoms. There are two shorter (2.37 Å) and one longer (2.38 Å) Pt–P bond lengths. In the fourth Pt2- site, Pt2- is bonded to eight Pt2- and four equivalent Zn2+ atoms to form distorted PtZn4Pt8 cuboctahedra that share cornersmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1225253

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; Eu2ZnP3Pt7; Eu-P-Pt-Zn

OSTI Identifier:: 1727095

DOI:: https://doi.org/10.17188/1727095

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                    The Materials Project. Materials Data on Eu2ZnP3Pt7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1727095.

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                    The Materials Project. Materials Data on Eu2ZnP3Pt7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1727095

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                    The Materials Project. 2020.  
"Materials Data on Eu2ZnP3Pt7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1727095.  https://www.osti.gov/servlets/purl/1727095. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1727095,

  title        = {Materials Data on Eu2ZnP3Pt7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Eu2Pt7ZnP3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Eu+2.50+ is bonded in a 9-coordinate geometry to nine Pt2- atoms. There are a spread of Eu–Pt bond distances ranging from 3.13–3.49 Å. There are four inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 12-coordinate geometry to two equivalent Eu+2.50+, six Pt2-, two equivalent Zn2+, and two equivalent P+2.33+ atoms. There are two shorter (2.82 Å) and four longer (2.91 Å) Pt–Pt bond lengths. Both Pt–Zn bond lengths are 2.82 Å. Both Pt–P bond lengths are 2.44 Å. In the second Pt2- site, Pt2- is bonded in a 12-coordinate geometry to two equivalent Eu+2.50+, six Pt2-, two equivalent Zn2+, and two equivalent P+2.33+ atoms. Both Pt–Pt bond lengths are 2.83 Å. Both Pt–Zn bond lengths are 2.83 Å. Both Pt–P bond lengths are 2.43 Å. In the third Pt2- site, Pt2- is bonded in a 3-coordinate geometry to five equivalent Eu+2.50+ and three P+2.33+ atoms. There are two shorter (2.37 Å) and one longer (2.38 Å) Pt–P bond lengths. In the fourth Pt2- site, Pt2- is bonded to eight Pt2- and four equivalent Zn2+ atoms to form distorted PtZn4Pt8 cuboctahedra that share corners with four equivalent PtZn4Pt8 cuboctahedra, faces with four equivalent PtZn4Pt8 cuboctahedra, and faces with four equivalent ZnPt12 cuboctahedra. All Pt–Zn bond lengths are 2.91 Å. Zn2+ is bonded to twelve Pt2- atoms to form ZnPt12 cuboctahedra that share corners with four equivalent ZnPt12 cuboctahedra, faces with four equivalent PtZn4Pt8 cuboctahedra, and faces with four equivalent ZnPt12 cuboctahedra. There are two inequivalent P+2.33+ sites. In the first P+2.33+ site, P+2.33+ is bonded in a 5-coordinate geometry to five Pt2- atoms. In the second P+2.33+ site, P+2.33+ is bonded to four equivalent Pt2- atoms to form corner-sharing PPt4 tetrahedra.},

  doi          = {10.17188/1727095},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1727095

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