Materials Data on ErNi7B3 by Materials Project

doi:10.17188/1205447

Title: Materials Data on ErNi7B3 by Materials Project

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Abstract

ErNi7B3 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to fourteen Ni and four equivalent B atoms. There are a spread of Er–Ni bond distances ranging from 2.60–3.13 Å. All Er–B bond lengths are 2.86 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 4-coordinate geometry to two equivalent Er and four B atoms. There are two shorter (2.15 Å) and two longer (2.22 Å) Ni–B bond lengths. In the second Ni site, Ni is bonded in a 5-coordinate geometry to two equivalent Er and three B atoms. There are two shorter (2.02 Å) and one longer (2.09 Å) Ni–B bond lengths. In the third Ni site, Ni is bonded in a 2-coordinate geometry to two equivalent Er and two equivalent B atoms. Both Ni–B bond lengths are 2.04 Å. In the fourth Ni site, Ni is bonded in a distorted square co-planar geometry to two equivalent Er and four B atoms. There are two shorter (2.17 Å) and two longer (2.21 Å) Ni–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in amore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-31130

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; ErNi7B3; B-Er-Ni

OSTI Identifier:: 1205447

DOI:: https://doi.org/10.17188/1205447

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                    The Materials Project. Materials Data on ErNi7B3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205447.

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                    The Materials Project. Materials Data on ErNi7B3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205447

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                    The Materials Project. 2020.  
"Materials Data on ErNi7B3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205447.  https://www.osti.gov/servlets/purl/1205447. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1205447,

  title        = {Materials Data on ErNi7B3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ErNi7B3 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to fourteen Ni and four equivalent B atoms. There are a spread of Er–Ni bond distances ranging from 2.60–3.13 Å. All Er–B bond lengths are 2.86 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 4-coordinate geometry to two equivalent Er and four B atoms. There are two shorter (2.15 Å) and two longer (2.22 Å) Ni–B bond lengths. In the second Ni site, Ni is bonded in a 5-coordinate geometry to two equivalent Er and three B atoms. There are two shorter (2.02 Å) and one longer (2.09 Å) Ni–B bond lengths. In the third Ni site, Ni is bonded in a 2-coordinate geometry to two equivalent Er and two equivalent B atoms. Both Ni–B bond lengths are 2.04 Å. In the fourth Ni site, Ni is bonded in a distorted square co-planar geometry to two equivalent Er and four B atoms. There are two shorter (2.17 Å) and two longer (2.21 Å) Ni–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 7-coordinate geometry to two equivalent Er and seven Ni atoms. In the second B site, B is bonded in a 9-coordinate geometry to eight Ni and one B atom. The B–B bond length is 1.82 Å.},

  doi          = {10.17188/1205447},

  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/10.17188/1205447

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