Materials Data on EuP7 by Materials Project

doi:10.17188/1663533

Title: Materials Data on EuP7 by Materials Project

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Abstract

EuP7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Eu3+ is bonded in a 9-coordinate geometry to nine P+0.43- atoms. There are a spread of Eu–P bond distances ranging from 3.08–3.27 Å. There are seven inequivalent P+0.43- sites. In the first P+0.43- site, P+0.43- is bonded to one Eu3+ and three P+0.43- atoms to form PEuP3 tetrahedra that share corners with ten PEu2P2 tetrahedra and a cornercorner with one PEuP3 trigonal pyramid. There are a spread of P–P bond distances ranging from 2.20–2.27 Å. In the second P+0.43- site, P+0.43- is bonded to one Eu3+ and three P+0.43- atoms to form distorted PEuP3 trigonal pyramids that share corners with eight PEuP3 tetrahedra and an edgeedge with one PEu2P2 tetrahedra. There are a spread of P–P bond distances ranging from 2.21–2.26 Å. In the third P+0.43- site, P+0.43- is bonded in a see-saw-like geometry to one Eu3+ and three P+0.43- atoms. There are one shorter (2.22 Å) and one longer (2.23 Å) P–P bond lengths. In the fourth P+0.43- site, P+0.43- is bonded to two equivalent Eu3+ and two P+0.43- atoms to form a mixture of edge and corner-sharing PEu2P2 tetrahedra. The P–P bond length is 2.22 Å.more »« less

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-1195922

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; EuP7; Eu-P

OSTI Identifier:: 1663533

DOI:: https://doi.org/10.17188/1663533

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                    The Materials Project. Materials Data on EuP7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1663533.

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                    The Materials Project. Materials Data on EuP7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1663533

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                    The Materials Project. 2020.  
"Materials Data on EuP7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1663533.  https://www.osti.gov/servlets/purl/1663533. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1663533,

  title        = {Materials Data on EuP7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {EuP7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Eu3+ is bonded in a 9-coordinate geometry to nine P+0.43- atoms. There are a spread of Eu–P bond distances ranging from 3.08–3.27 Å. There are seven inequivalent P+0.43- sites. In the first P+0.43- site, P+0.43- is bonded to one Eu3+ and three P+0.43- atoms to form PEuP3 tetrahedra that share corners with ten PEu2P2 tetrahedra and a cornercorner with one PEuP3 trigonal pyramid. There are a spread of P–P bond distances ranging from 2.20–2.27 Å. In the second P+0.43- site, P+0.43- is bonded to one Eu3+ and three P+0.43- atoms to form distorted PEuP3 trigonal pyramids that share corners with eight PEuP3 tetrahedra and an edgeedge with one PEu2P2 tetrahedra. There are a spread of P–P bond distances ranging from 2.21–2.26 Å. In the third P+0.43- site, P+0.43- is bonded in a see-saw-like geometry to one Eu3+ and three P+0.43- atoms. There are one shorter (2.22 Å) and one longer (2.23 Å) P–P bond lengths. In the fourth P+0.43- site, P+0.43- is bonded to two equivalent Eu3+ and two P+0.43- atoms to form a mixture of edge and corner-sharing PEu2P2 tetrahedra. The P–P bond length is 2.22 Å. In the fifth P+0.43- site, P+0.43- is bonded to one Eu3+ and three P+0.43- atoms to form distorted PEuP3 tetrahedra that share corners with eight PEuP3 tetrahedra, corners with two equivalent PEuP3 trigonal pyramids, and an edgeedge with one PEu2P2 tetrahedra. The P–P bond length is 2.23 Å. In the sixth P+0.43- site, P+0.43- is bonded to two equivalent Eu3+ and two P+0.43- atoms to form a mixture of edge and corner-sharing PEu2P2 tetrahedra. In the seventh P+0.43- site, P+0.43- is bonded to one Eu3+ and three P+0.43- atoms to form distorted corner-sharing PEuP3 tetrahedra.},

  doi          = {10.17188/1663533},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1663533

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