Materials Data on Er5(NiTe)2 by Materials Project

doi:10.17188/1274165

Title: Materials Data on Er5(NiTe)2 by Materials Project

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Abstract

Er5Ni2Te2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 7-coordinate geometry to three Ni and four equivalent Te atoms. There are two shorter (2.79 Å) and one longer (2.86 Å) Er–Ni bond lengths. There are two shorter (3.31 Å) and two longer (3.35 Å) Er–Te bond lengths. In the second Er site, Er is bonded in a 6-coordinate geometry to three Ni and three equivalent Te atoms. There are two shorter (2.79 Å) and one longer (2.91 Å) Er–Ni bond lengths. There are one shorter (3.12 Å) and two longer (3.21 Å) Er–Te bond lengths. In the third Er site, Er is bonded in a square co-planar geometry to two Ni and two equivalent Te atoms. There are one shorter (2.87 Å) and one longer (3.08 Å) Er–Ni bond lengths. Both Er–Te bond lengths are 3.13 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to seven Er and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.48 Å. In the second Ni site, Ni is bonded in a 9-coordinatemore »« less

Publication Date:: 2020-07-17

Other Number(s):: mp-567994

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Er-Ni-Te; Er5(NiTe)2; crystal structure

OSTI Identifier:: 1274165

DOI:: https://doi.org/10.17188/1274165

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                    Materials Data on Er5(NiTe)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274165.

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                    Materials Data on Er5(NiTe)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274165

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                    2020.  
"Materials Data on Er5(NiTe)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274165.  https://www.osti.gov/servlets/purl/1274165. Pub date:Fri Jul 17 04:00:00 UTC 2020

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@article{osti_1274165,

  title        = {Materials Data on Er5(NiTe)2 by Materials Project},

  
  abstractNote = {Er5Ni2Te2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 7-coordinate geometry to three Ni and four equivalent Te atoms. There are two shorter (2.79 Å) and one longer (2.86 Å) Er–Ni bond lengths. There are two shorter (3.31 Å) and two longer (3.35 Å) Er–Te bond lengths. In the second Er site, Er is bonded in a 6-coordinate geometry to three Ni and three equivalent Te atoms. There are two shorter (2.79 Å) and one longer (2.91 Å) Er–Ni bond lengths. There are one shorter (3.12 Å) and two longer (3.21 Å) Er–Te bond lengths. In the third Er site, Er is bonded in a square co-planar geometry to two Ni and two equivalent Te atoms. There are one shorter (2.87 Å) and one longer (3.08 Å) Er–Ni bond lengths. Both Er–Te bond lengths are 3.13 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to seven Er and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.48 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to seven Er and two equivalent Ni atoms. Te is bonded in a 8-coordinate geometry to eight Er atoms.},

  doi          = {10.17188/1274165},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1274165

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