Materials Data on Eu3(AlP2)2 by Materials Project

doi:10.17188/1692695

Title: Materials Data on Eu3(AlP2)2 by Materials Project

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Abstract

Eu3Al2P4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded to six P3- atoms to form distorted EuP6 octahedra that share corners with seven EuP6 octahedra, corners with six equivalent AlP4 tetrahedra, edges with six equivalent EuP6 octahedra, edges with three equivalent AlP4 tetrahedra, and a faceface with one EuP6 octahedra. The corner-sharing octahedra tilt angles range from 16–61°. There are a spread of Eu–P bond distances ranging from 2.96–3.41 Å. In the second Eu2+ site, Eu2+ is bonded to six P3- atoms to form EuP6 octahedra that share corners with ten equivalent EuP6 octahedra, corners with four equivalent AlP4 tetrahedra, edges with two equivalent EuP6 octahedra, edges with four equivalent AlP4 tetrahedra, and faces with two equivalent EuP6 octahedra. The corner-sharing octahedra tilt angles range from 32–61°. There are a spread of Eu–P bond distances ranging from 2.95–3.11 Å. Al3+ is bonded to four P3- atoms to form AlP4 tetrahedra that share corners with eight EuP6 octahedra, corners with two equivalent AlP4 tetrahedra, edges with five EuP6 octahedra, and an edgeedge with one AlP4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–85°.more »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1205409

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; Eu3(AlP2)2; Al-Eu-P

OSTI Identifier:: 1692695

DOI:: https://doi.org/10.17188/1692695

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                    The Materials Project. Materials Data on Eu3(AlP2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1692695.

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                    The Materials Project. Materials Data on Eu3(AlP2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1692695

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                    The Materials Project. 2020.  
"Materials Data on Eu3(AlP2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1692695.  https://www.osti.gov/servlets/purl/1692695. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1692695,

  title        = {Materials Data on Eu3(AlP2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Eu3Al2P4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded to six P3- atoms to form distorted EuP6 octahedra that share corners with seven EuP6 octahedra, corners with six equivalent AlP4 tetrahedra, edges with six equivalent EuP6 octahedra, edges with three equivalent AlP4 tetrahedra, and a faceface with one EuP6 octahedra. The corner-sharing octahedra tilt angles range from 16–61°. There are a spread of Eu–P bond distances ranging from 2.96–3.41 Å. In the second Eu2+ site, Eu2+ is bonded to six P3- atoms to form EuP6 octahedra that share corners with ten equivalent EuP6 octahedra, corners with four equivalent AlP4 tetrahedra, edges with two equivalent EuP6 octahedra, edges with four equivalent AlP4 tetrahedra, and faces with two equivalent EuP6 octahedra. The corner-sharing octahedra tilt angles range from 32–61°. There are a spread of Eu–P bond distances ranging from 2.95–3.11 Å. Al3+ is bonded to four P3- atoms to form AlP4 tetrahedra that share corners with eight EuP6 octahedra, corners with two equivalent AlP4 tetrahedra, edges with five EuP6 octahedra, and an edgeedge with one AlP4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–85°. There are a spread of Al–P bond distances ranging from 2.39–2.45 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 7-coordinate geometry to five Eu2+ and two equivalent Al3+ atoms. In the second P3- site, P3- is bonded in a 6-coordinate geometry to four Eu2+ and two equivalent Al3+ atoms.},

  doi          = {10.17188/1692695},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1692695

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