Materials Data on Sm(CuTe)3 by Materials Project

doi:10.17188/1722084

Title: Materials Data on Sm(CuTe)3 by Materials Project

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Abstract

Sm(CuTe)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Sm3+ is bonded to six equivalent Te2- atoms to form SmTe6 octahedra that share corners with twelve equivalent CuTe4 tetrahedra, edges with three equivalent SmTe6 octahedra, and edges with six equivalent CuTe4 tetrahedra. All Sm–Te bond lengths are 3.12 Å. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent SmTe6 octahedra, corners with six equivalent CuTe4 tetrahedra, edges with two equivalent SmTe6 octahedra, and edges with three equivalent CuTe4 tetrahedra. The corner-sharing octahedra tilt angles range from 18–57°. There are a spread of Cu–Te bond distances ranging from 2.61–2.67 Å. Te2- is bonded in a 6-coordinate geometry to two equivalent Sm3+ and four equivalent Cu1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1219189

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; Sm(CuTe)3; Cu-Sm-Te

OSTI Identifier:: 1722084

DOI:: https://doi.org/10.17188/1722084

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                    The Materials Project. Materials Data on Sm(CuTe)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1722084.

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                    The Materials Project. Materials Data on Sm(CuTe)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1722084

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                    The Materials Project. 2020.  
"Materials Data on Sm(CuTe)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1722084.  https://www.osti.gov/servlets/purl/1722084. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1722084,

  title        = {Materials Data on Sm(CuTe)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm(CuTe)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Sm3+ is bonded to six equivalent Te2- atoms to form SmTe6 octahedra that share corners with twelve equivalent CuTe4 tetrahedra, edges with three equivalent SmTe6 octahedra, and edges with six equivalent CuTe4 tetrahedra. All Sm–Te bond lengths are 3.12 Å. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent SmTe6 octahedra, corners with six equivalent CuTe4 tetrahedra, edges with two equivalent SmTe6 octahedra, and edges with three equivalent CuTe4 tetrahedra. The corner-sharing octahedra tilt angles range from 18–57°. There are a spread of Cu–Te bond distances ranging from 2.61–2.67 Å. Te2- is bonded in a 6-coordinate geometry to two equivalent Sm3+ and four equivalent Cu1+ atoms.},

  doi          = {10.17188/1722084},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1722084

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