Materials Data on Eu3Zn2(CuP2)2 by Materials Project

doi:10.17188/1754047

Title: Materials Data on Eu3Zn2(CuP2)2 by Materials Project

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Abstract

Eu3Zn2(CuP2)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded to six equivalent P3- atoms to form a mixture of corner, edge, and face-sharing EuP6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Eu–P bond lengths are 3.12 Å. In the second Eu2+ site, Eu2+ is bonded to six P3- atoms to form EuP6 octahedra that share corners with six equivalent EuP6 octahedra, corners with six equivalent ZnP4 tetrahedra, edges with six equivalent EuP6 octahedra, edges with three equivalent ZnP4 tetrahedra, and a faceface with one EuP6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are three shorter (2.98 Å) and three longer (3.13 Å) Eu–P bond lengths. Cu1+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Cu–P bond lengths are 2.36 Å. Zn2+ is bonded to four equivalent P3- atoms to form ZnP4 tetrahedra that share corners with six equivalent EuP6 octahedra, corners with six equivalent ZnP4 tetrahedra, edges with three equivalent EuP6 octahedra, and edges with three equivalent ZnP4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–53°. There are three shorter (2.46 Å) andmore »« less

Publication Date:: Sun May 03 04:00:00 UTC 2020

Other Number(s):: mp-1103457

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; Cu-Eu-P-Zn; Eu3Zn2(CuP2)2; crystal structure

OSTI Identifier:: 1754047

DOI:: https://doi.org/10.17188/1754047

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                    Materials Data on Eu3Zn2(CuP2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1754047.

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                    Materials Data on Eu3Zn2(CuP2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1754047

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                    2020.  
"Materials Data on Eu3Zn2(CuP2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1754047.  https://www.osti.gov/servlets/purl/1754047. Pub date:Sun May 03 04:00:00 UTC 2020

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@article{osti_1754047,

  title        = {Materials Data on Eu3Zn2(CuP2)2 by Materials Project},

  
  abstractNote = {Eu3Zn2(CuP2)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded to six equivalent P3- atoms to form a mixture of corner, edge, and face-sharing EuP6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Eu–P bond lengths are 3.12 Å. In the second Eu2+ site, Eu2+ is bonded to six P3- atoms to form EuP6 octahedra that share corners with six equivalent EuP6 octahedra, corners with six equivalent ZnP4 tetrahedra, edges with six equivalent EuP6 octahedra, edges with three equivalent ZnP4 tetrahedra, and a faceface with one EuP6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are three shorter (2.98 Å) and three longer (3.13 Å) Eu–P bond lengths. Cu1+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Cu–P bond lengths are 2.36 Å. Zn2+ is bonded to four equivalent P3- atoms to form ZnP4 tetrahedra that share corners with six equivalent EuP6 octahedra, corners with six equivalent ZnP4 tetrahedra, edges with three equivalent EuP6 octahedra, and edges with three equivalent ZnP4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–53°. There are three shorter (2.46 Å) and one longer (2.50 Å) Zn–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 3-coordinate geometry to six Eu2+ and three equivalent Cu1+ atoms. In the second P3- site, P3- is bonded to three equivalent Eu2+ and four equivalent Zn2+ atoms to form distorted edge-sharing PEu3Zn4 pentagonal bipyramids.},

  doi          = {10.17188/1754047},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 04:00:00 UTC 2020},

  month        = {Sun May 03 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1754047

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