Materials Data on Lu6CuTe2 by Materials Project

doi:10.17188/1280107

Title: Materials Data on Lu6CuTe2 by Materials Project

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Abstract

Lu6CuTe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are six inequivalent Lu sites. In the first Lu site, Lu is bonded in a 4-coordinate geometry to four Te atoms. There are two shorter (3.08 Å) and two longer (3.09 Å) Lu–Te bond lengths. In the second Lu site, Lu is bonded in a 5-coordinate geometry to three equivalent Cu and two equivalent Te atoms. There are two shorter (2.91 Å) and one longer (3.10 Å) Lu–Cu bond lengths. Both Lu–Te bond lengths are 3.18 Å. In the third Lu site, Lu is bonded in a 3-coordinate geometry to two equivalent Cu and one Te atom. Both Lu–Cu bond lengths are 2.86 Å. The Lu–Te bond length is 3.20 Å. In the fourth Lu site, Lu is bonded in a 4-coordinate geometry to one Cu and four Te atoms. The Lu–Cu bond length is 3.47 Å. There are a spread of Lu–Te bond distances ranging from 3.03–3.26 Å. In the fifth Lu site, Lu is bonded to two equivalent Cu and three Te atoms to form distorted edge-sharing LuCu2Te3 trigonal bipyramids. Both Lu–Cu bond lengths are 2.84 Å. There are one shorter (3.04 Å) and twomore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-642315

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; Lu6CuTe2; Cu-Lu-Te

OSTI Identifier:: 1280107

DOI:: https://doi.org/10.17188/1280107

Citation Formats


                    The Materials Project. Materials Data on Lu6CuTe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280107.

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                    The Materials Project. Materials Data on Lu6CuTe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1280107

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                    The Materials Project. 2020.  
"Materials Data on Lu6CuTe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1280107.  https://www.osti.gov/servlets/purl/1280107. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1280107,

  title        = {Materials Data on Lu6CuTe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Lu6CuTe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are six inequivalent Lu sites. In the first Lu site, Lu is bonded in a 4-coordinate geometry to four Te atoms. There are two shorter (3.08 Å) and two longer (3.09 Å) Lu–Te bond lengths. In the second Lu site, Lu is bonded in a 5-coordinate geometry to three equivalent Cu and two equivalent Te atoms. There are two shorter (2.91 Å) and one longer (3.10 Å) Lu–Cu bond lengths. Both Lu–Te bond lengths are 3.18 Å. In the third Lu site, Lu is bonded in a 3-coordinate geometry to two equivalent Cu and one Te atom. Both Lu–Cu bond lengths are 2.86 Å. The Lu–Te bond length is 3.20 Å. In the fourth Lu site, Lu is bonded in a 4-coordinate geometry to one Cu and four Te atoms. The Lu–Cu bond length is 3.47 Å. There are a spread of Lu–Te bond distances ranging from 3.03–3.26 Å. In the fifth Lu site, Lu is bonded to two equivalent Cu and three Te atoms to form distorted edge-sharing LuCu2Te3 trigonal bipyramids. Both Lu–Cu bond lengths are 2.84 Å. There are one shorter (3.04 Å) and two longer (3.12 Å) Lu–Te bond lengths. In the sixth Lu site, Lu is bonded in a 1-coordinate geometry to one Cu and one Te atom. The Lu–Cu bond length is 3.34 Å. The Lu–Te bond length is 3.07 Å. Cu is bonded in a 9-coordinate geometry to nine 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          = {10.17188/1280107},

  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/10.17188/1280107

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