Materials Data on EuCu4P3 by Materials Project

doi:10.17188/1677035

Title: Materials Data on EuCu4P3 by Materials Project

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Abstract

EuCu4P3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Eu3+ is bonded to eight equivalent P3- atoms to form EuP8 hexagonal bipyramids that share corners with sixteen equivalent CuP4 tetrahedra, edges with four equivalent EuP8 hexagonal bipyramids, edges with eight equivalent CuP4 tetrahedra, and faces with four equivalent EuP8 hexagonal bipyramids. All Eu–P bond lengths are 3.07 Å. Cu+1.50+ is bonded to four P3- atoms to form CuP4 tetrahedra that share corners with four equivalent EuP8 hexagonal bipyramids, corners with ten equivalent CuP4 tetrahedra, edges with two equivalent EuP8 hexagonal bipyramids, and edges with five equivalent CuP4 tetrahedra. There are two shorter (2.39 Å) and two longer (2.40 Å) Cu–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a body-centered cubic geometry to eight equivalent Cu+1.50+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to four equivalent Eu3+, four equivalent Cu+1.50+, and one P3- atom. The P–P bond length is 2.28 Å.

Authors:: The Materials Project

Publication Date:: Mon May 04 00:00:00 EDT 2020

Other Number(s):: mp-1079564

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; EuCu4P3; Cu-Eu-P

OSTI Identifier:: 1677035

DOI:: https://doi.org/10.17188/1677035

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                    The Materials Project. Materials Data on EuCu4P3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1677035.

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                    The Materials Project. Materials Data on EuCu4P3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1677035

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                    The Materials Project. 2020.  
"Materials Data on EuCu4P3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1677035.  https://www.osti.gov/servlets/purl/1677035. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1677035,

  title        = {Materials Data on EuCu4P3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {EuCu4P3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Eu3+ is bonded to eight equivalent P3- atoms to form EuP8 hexagonal bipyramids that share corners with sixteen equivalent CuP4 tetrahedra, edges with four equivalent EuP8 hexagonal bipyramids, edges with eight equivalent CuP4 tetrahedra, and faces with four equivalent EuP8 hexagonal bipyramids. All Eu–P bond lengths are 3.07 Å. Cu+1.50+ is bonded to four P3- atoms to form CuP4 tetrahedra that share corners with four equivalent EuP8 hexagonal bipyramids, corners with ten equivalent CuP4 tetrahedra, edges with two equivalent EuP8 hexagonal bipyramids, and edges with five equivalent CuP4 tetrahedra. There are two shorter (2.39 Å) and two longer (2.40 Å) Cu–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a body-centered cubic geometry to eight equivalent Cu+1.50+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to four equivalent Eu3+, four equivalent Cu+1.50+, and one P3- atom. The P–P bond length is 2.28 Å.},

  doi          = {10.17188/1677035},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon May 04 00:00:00 EDT 2020},

  month        = {Mon May 04 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1677035

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