Materials Data on Sr(CuSb)2 by Materials Project

doi:10.17188/1262565

Title: Materials Data on Sr(CuSb)2 by Materials Project

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Abstract

SrCu2Sb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight Sb3- atoms. There are four shorter (3.43 Å) and four longer (3.67 Å) Sr–Sb bond lengths. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a 5-coordinate geometry to five Sb3- atoms. There are one shorter (2.57 Å) and four longer (2.72 Å) Cu–Sb bond lengths. In the second Cu2+ site, Cu2+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing CuSb4 tetrahedra. All Cu–Sb bond lengths are 2.69 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 9-coordinate geometry to four equivalent Sr2+ and five Cu2+ atoms. In the second Sb3- site, Sb3- is bonded to four equivalent Sr2+ and four equivalent Cu2+ atoms to form a mixture of distorted face and edge-sharing SbSr4Cu4 tetrahedra.

Authors:: The Materials Project

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

Other Number(s):: mp-505515

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; Sr(CuSb)2; Cu-Sb-Sr

OSTI Identifier:: 1262565

DOI:: https://doi.org/10.17188/1262565

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                    The Materials Project. Materials Data on Sr(CuSb)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262565.

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                    The Materials Project. Materials Data on Sr(CuSb)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262565

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                    The Materials Project. 2020.  
"Materials Data on Sr(CuSb)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262565.  https://www.osti.gov/servlets/purl/1262565. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1262565,

  title        = {Materials Data on Sr(CuSb)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrCu2Sb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight Sb3- atoms. There are four shorter (3.43 Å) and four longer (3.67 Å) Sr–Sb bond lengths. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a 5-coordinate geometry to five Sb3- atoms. There are one shorter (2.57 Å) and four longer (2.72 Å) Cu–Sb bond lengths. In the second Cu2+ site, Cu2+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing CuSb4 tetrahedra. All Cu–Sb bond lengths are 2.69 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 9-coordinate geometry to four equivalent Sr2+ and five Cu2+ atoms. In the second Sb3- site, Sb3- is bonded to four equivalent Sr2+ and four equivalent Cu2+ atoms to form a mixture of distorted face and edge-sharing SbSr4Cu4 tetrahedra.},

  doi          = {10.17188/1262565},

  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/10.17188/1262565

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