Materials Data on Lu7(NiTe)2 by Materials Project

doi:10.17188/1188347

Title: Materials Data on Lu7(NiTe)2 by Materials Project

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Abstract

Lu7(NiTe)2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Lu sites. In the first Lu site, Lu is bonded in a 4-coordinate geometry to three equivalent Ni and one Te atom. There are two shorter (2.74 Å) and one longer (3.12 Å) Lu–Ni bond lengths. The Lu–Te bond length is 3.13 Å. In the second Lu site, Lu is bonded in a 3-coordinate geometry to three Te atoms. There are two shorter (3.15 Å) and one longer (3.19 Å) Lu–Te bond lengths. In the third Lu site, Lu is bonded in a 5-coordinate geometry to two equivalent Ni and three Te atoms. Both Lu–Ni bond lengths are 2.73 Å. There are one shorter (3.07 Å) and two longer (3.14 Å) Lu–Te bond lengths. In the fourth Lu site, Lu is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ni and two equivalent Te atoms. Both Lu–Ni bond lengths are 2.76 Å. Both Lu–Te bond lengths are 3.11 Å. Ni is bonded in a 7-coordinate geometry to seven Lu atoms. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 7-coordinate geometry to seven Lu atoms.more »« less

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-11752

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; Lu7(NiTe)2; Lu-Ni-Te

OSTI Identifier:: 1188347

DOI:: https://doi.org/10.17188/1188347

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                    The Materials Project. Materials Data on Lu7(NiTe)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1188347.

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                    The Materials Project. Materials Data on Lu7(NiTe)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1188347

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                    The Materials Project. 2020.  
"Materials Data on Lu7(NiTe)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1188347.  https://www.osti.gov/servlets/purl/1188347. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1188347,

  title        = {Materials Data on Lu7(NiTe)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Lu7(NiTe)2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Lu sites. In the first Lu site, Lu is bonded in a 4-coordinate geometry to three equivalent Ni and one Te atom. There are two shorter (2.74 Å) and one longer (3.12 Å) Lu–Ni bond lengths. The Lu–Te bond length is 3.13 Å. In the second Lu site, Lu is bonded in a 3-coordinate geometry to three Te atoms. There are two shorter (3.15 Å) and one longer (3.19 Å) Lu–Te bond lengths. In the third Lu site, Lu is bonded in a 5-coordinate geometry to two equivalent Ni and three Te atoms. Both Lu–Ni bond lengths are 2.73 Å. There are one shorter (3.07 Å) and two longer (3.14 Å) Lu–Te bond lengths. In the fourth Lu site, Lu is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ni and two equivalent Te atoms. Both Lu–Ni bond lengths are 2.76 Å. Both Lu–Te bond lengths are 3.11 Å. Ni is bonded in a 7-coordinate geometry to seven Lu atoms. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 7-coordinate geometry to seven Lu atoms. In the second Te site, Te is bonded in a 8-coordinate geometry to eight Lu atoms.},

  doi          = {10.17188/1188347},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1188347

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