Materials Data on Eu3Ni7B2 by Materials Project

doi:10.17188/1654862

Title: Materials Data on Eu3Ni7B2 by Materials Project

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Abstract

Eu3Ni7B2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are three inequivalent Eu sites. In the first Eu site, Eu is bonded in a distorted trigonal planar geometry to three equivalent Eu and three equivalent Ni atoms. All Eu–Eu bond lengths are 3.02 Å. All Eu–Ni bond lengths are 3.02 Å. In the second Eu site, Eu is bonded in a 12-coordinate geometry to twelve equivalent Ni and six B atoms. All Eu–Ni bond lengths are 2.94 Å. All Eu–B bond lengths are 3.02 Å. In the third Eu site, Eu is bonded to three equivalent Eu and nine Ni atoms to form distorted EuEu3Ni9 cuboctahedra that share corners with three equivalent NiEu6Ni6 cuboctahedra, edges with six equivalent EuEu3Ni9 cuboctahedra, and faces with three equivalent NiEu6Ni6 cuboctahedra. There are six shorter (2.76 Å) and three longer (3.02 Å) Eu–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to three Eu, one Ni, and two B atoms. The Ni–Ni bond length is 2.71 Å. There are one shorter (1.99 Å) and one longer (2.06 Å) Ni–B bond lengths. In the second Ni site, Ni ismore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-13

Other Number(s):: mp-1225962

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; Eu3Ni7B2; B-Eu-Ni

OSTI Identifier:: 1654862

DOI:: https://doi.org/10.17188/1654862

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                    The Materials Project. Materials Data on Eu3Ni7B2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1654862.

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                    The Materials Project. Materials Data on Eu3Ni7B2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1654862

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                    The Materials Project. 2019.  
"Materials Data on Eu3Ni7B2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1654862.  https://www.osti.gov/servlets/purl/1654862. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1654862,

  title        = {Materials Data on Eu3Ni7B2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Eu3Ni7B2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are three inequivalent Eu sites. In the first Eu site, Eu is bonded in a distorted trigonal planar geometry to three equivalent Eu and three equivalent Ni atoms. All Eu–Eu bond lengths are 3.02 Å. All Eu–Ni bond lengths are 3.02 Å. In the second Eu site, Eu is bonded in a 12-coordinate geometry to twelve equivalent Ni and six B atoms. All Eu–Ni bond lengths are 2.94 Å. All Eu–B bond lengths are 3.02 Å. In the third Eu site, Eu is bonded to three equivalent Eu and nine Ni atoms to form distorted EuEu3Ni9 cuboctahedra that share corners with three equivalent NiEu6Ni6 cuboctahedra, edges with six equivalent EuEu3Ni9 cuboctahedra, and faces with three equivalent NiEu6Ni6 cuboctahedra. There are six shorter (2.76 Å) and three longer (3.02 Å) Eu–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to three Eu, one Ni, and two B atoms. The Ni–Ni bond length is 2.71 Å. There are one shorter (1.99 Å) and one longer (2.06 Å) Ni–B bond lengths. In the second Ni site, Ni is bonded to six Eu and six equivalent Ni atoms to form NiEu6Ni6 cuboctahedra that share corners with three equivalent EuEu3Ni9 cuboctahedra, edges with six equivalent NiEu6Ni6 cuboctahedra, and faces with three equivalent EuEu3Ni9 cuboctahedra. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Eu and six equivalent Ni atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Eu and six equivalent Ni atoms.},

  doi          = {10.17188/1654862},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1654862

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