Materials Data on Eu3GaP3 by Materials Project

doi:10.17188/1691337

Title: Materials Data on Eu3GaP3 by Materials Project

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Abstract

Eu3GaP3 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 6-coordinate geometry to six P3- atoms. There are a spread of Eu–P bond distances ranging from 2.95–3.39 Å. In the second Eu2+ site, Eu2+ is bonded to six P3- atoms to form distorted EuP6 octahedra that share corners with five equivalent EuP6 octahedra, corners with four equivalent GaP4 tetrahedra, edges with eight equivalent EuP6 octahedra, and a faceface with one GaP4 tetrahedra. The corner-sharing octahedra tilt angles range from 11–23°. There are a spread of Eu–P bond distances ranging from 2.99–3.32 Å. Ga3+ is bonded to four P3- atoms to form GaP4 tetrahedra that share corners with eight equivalent EuP6 octahedra, an edgeedge with one GaP4 tetrahedra, and faces with two equivalent EuP6 octahedra. The corner-sharing octahedra tilt angles range from 38–56°. There are two shorter (2.43 Å) and two longer (2.46 Å) Ga–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 8-coordinate geometry to six Eu2+ and two equivalent Ga3+ atoms. In the second P3- site, P3- is bonded in amore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1194348

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; Eu3GaP3; Eu-Ga-P

OSTI Identifier:: 1691337

DOI:: https://doi.org/10.17188/1691337

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                    The Materials Project. Materials Data on Eu3GaP3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1691337.

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                    The Materials Project. Materials Data on Eu3GaP3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1691337

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                    The Materials Project. 2020.  
"Materials Data on Eu3GaP3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1691337.  https://www.osti.gov/servlets/purl/1691337. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1691337,

  title        = {Materials Data on Eu3GaP3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Eu3GaP3 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 6-coordinate geometry to six P3- atoms. There are a spread of Eu–P bond distances ranging from 2.95–3.39 Å. In the second Eu2+ site, Eu2+ is bonded to six P3- atoms to form distorted EuP6 octahedra that share corners with five equivalent EuP6 octahedra, corners with four equivalent GaP4 tetrahedra, edges with eight equivalent EuP6 octahedra, and a faceface with one GaP4 tetrahedra. The corner-sharing octahedra tilt angles range from 11–23°. There are a spread of Eu–P bond distances ranging from 2.99–3.32 Å. Ga3+ is bonded to four P3- atoms to form GaP4 tetrahedra that share corners with eight equivalent EuP6 octahedra, an edgeedge with one GaP4 tetrahedra, and faces with two equivalent EuP6 octahedra. The corner-sharing octahedra tilt angles range from 38–56°. There are two shorter (2.43 Å) and two longer (2.46 Å) Ga–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 8-coordinate geometry to six Eu2+ and two equivalent Ga3+ atoms. In the second P3- site, P3- is bonded in a 7-coordinate geometry to six Eu2+ and one Ga3+ atom.},

  doi          = {10.17188/1691337},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1691337

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