Materials Data on K5CuSb2 by Materials Project

doi:10.17188/1202135

Title: Materials Data on K5CuSb2 by Materials Project

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Abstract

K5CuSb2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 12-coordinate geometry to eight K1+ and six equivalent Sb3- atoms. There are six shorter (3.74 Å) and two longer (3.84 Å) K–K bond lengths. All K–Sb bond lengths are 4.11 Å. In the second K1+ site, K1+ is bonded in a distorted trigonal non-coplanar geometry to one K1+ and three equivalent Sb3- atoms. All K–Sb bond lengths are 3.82 Å. In the third K1+ site, K1+ is bonded to three equivalent K1+ and four equivalent Sb3- atoms to form a mixture of distorted corner, edge, and face-sharing KK3Sb4 tetrahedra. There are three shorter (3.55 Å) and one longer (3.64 Å) K–Sb bond lengths. Cu1+ is bonded in a linear geometry to two equivalent Sb3- atoms. Both Cu–Sb bond lengths are 2.51 Å. Sb3- is bonded in a 8-coordinate geometry to ten K1+ and one Cu1+ atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-27999

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; K5CuSb2; Cu-K-Sb

OSTI Identifier:: 1202135

DOI:: https://doi.org/10.17188/1202135

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                    The Materials Project. Materials Data on K5CuSb2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202135.

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                    The Materials Project. Materials Data on K5CuSb2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202135

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                    The Materials Project. 2020.  
"Materials Data on K5CuSb2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202135.  https://www.osti.gov/servlets/purl/1202135. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1202135,

  title        = {Materials Data on K5CuSb2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K5CuSb2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 12-coordinate geometry to eight K1+ and six equivalent Sb3- atoms. There are six shorter (3.74 Å) and two longer (3.84 Å) K–K bond lengths. All K–Sb bond lengths are 4.11 Å. In the second K1+ site, K1+ is bonded in a distorted trigonal non-coplanar geometry to one K1+ and three equivalent Sb3- atoms. All K–Sb bond lengths are 3.82 Å. In the third K1+ site, K1+ is bonded to three equivalent K1+ and four equivalent Sb3- atoms to form a mixture of distorted corner, edge, and face-sharing KK3Sb4 tetrahedra. There are three shorter (3.55 Å) and one longer (3.64 Å) K–Sb bond lengths. Cu1+ is bonded in a linear geometry to two equivalent Sb3- atoms. Both Cu–Sb bond lengths are 2.51 Å. Sb3- is bonded in a 8-coordinate geometry to ten K1+ and one Cu1+ atom.},

  doi          = {10.17188/1202135},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1202135

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