Materials Data on Na8SnSb4 by Materials Project

doi:10.17188/1205619

Title: Materials Data on Na8SnSb4 by Materials Project

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Abstract

Na8SnSb4 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six equivalent Sb3- atoms to form distorted NaSb6 octahedra that share corners with eighteen equivalent NaSb4 tetrahedra, edges with six equivalent NaSb6 octahedra, faces with two equivalent SnSb4 tetrahedra, and faces with six equivalent NaSb4 tetrahedra. All Na–Sb bond lengths are 3.54 Å. In the second Na1+ site, Na1+ is bonded to four equivalent Sb3- atoms to form distorted NaSb4 tetrahedra that share corners with six equivalent NaSb6 octahedra, corners with two equivalent SnSb4 tetrahedra, corners with twelve equivalent NaSb4 tetrahedra, an edgeedge with one SnSb4 tetrahedra, edges with four equivalent NaSb4 tetrahedra, and faces with two equivalent NaSb6 octahedra. The corner-sharing octahedra tilt angles range from 40–51°. There are two shorter (3.23 Å) and two longer (3.34 Å) Na–Sb bond lengths. Sn4+ is bonded to four equivalent Sb3- atoms to form SnSb4 tetrahedra that share corners with twelve equivalent NaSb4 tetrahedra, edges with six equivalent NaSb4 tetrahedra, and faces with four equivalent NaSb6 octahedra. All Sn–Sb bond lengths are 2.88 Å. Sb3- is bonded in a 10-coordinate geometry to nine Na1+ andmore » one Sn4+ atom.« less

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-3138

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; Na8SnSb4; Na-Sb-Sn

OSTI Identifier:: 1205619

DOI:: https://doi.org/10.17188/1205619

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                    The Materials Project. Materials Data on Na8SnSb4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205619.

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                    The Materials Project. Materials Data on Na8SnSb4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205619

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                    The Materials Project. 2020.  
"Materials Data on Na8SnSb4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205619.  https://www.osti.gov/servlets/purl/1205619. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1205619,

  title        = {Materials Data on Na8SnSb4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na8SnSb4 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six equivalent Sb3- atoms to form distorted NaSb6 octahedra that share corners with eighteen equivalent NaSb4 tetrahedra, edges with six equivalent NaSb6 octahedra, faces with two equivalent SnSb4 tetrahedra, and faces with six equivalent NaSb4 tetrahedra. All Na–Sb bond lengths are 3.54 Å. In the second Na1+ site, Na1+ is bonded to four equivalent Sb3- atoms to form distorted NaSb4 tetrahedra that share corners with six equivalent NaSb6 octahedra, corners with two equivalent SnSb4 tetrahedra, corners with twelve equivalent NaSb4 tetrahedra, an edgeedge with one SnSb4 tetrahedra, edges with four equivalent NaSb4 tetrahedra, and faces with two equivalent NaSb6 octahedra. The corner-sharing octahedra tilt angles range from 40–51°. There are two shorter (3.23 Å) and two longer (3.34 Å) Na–Sb bond lengths. Sn4+ is bonded to four equivalent Sb3- atoms to form SnSb4 tetrahedra that share corners with twelve equivalent NaSb4 tetrahedra, edges with six equivalent NaSb4 tetrahedra, and faces with four equivalent NaSb6 octahedra. All Sn–Sb bond lengths are 2.88 Å. Sb3- is bonded in a 10-coordinate geometry to nine Na1+ and one Sn4+ atom.},

  doi          = {10.17188/1205619},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1205619

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