Materials Data on Cu3Sn by Materials Project

doi:10.17188/1189408

Title: Materials Data on Cu3Sn by Materials Project

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Abstract

Cu3Sn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Cu sites. In the first Cu site, Cu is bonded to eight Cu and four equivalent Sn atoms to form CuCu8Sn4 cuboctahedra that share corners with four equivalent SnCu12 cuboctahedra, corners with fourteen equivalent CuCu8Sn4 cuboctahedra, edges with six equivalent SnCu12 cuboctahedra, edges with twelve CuCu8Sn4 cuboctahedra, faces with four equivalent SnCu12 cuboctahedra, and faces with sixteen CuCu8Sn4 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.59–2.95 Å. There are two shorter (2.76 Å) and two longer (2.77 Å) Cu–Sn bond lengths. In the second Cu site, Cu is bonded to eight equivalent Cu and four equivalent Sn atoms to form CuCu8Sn4 cuboctahedra that share corners with four equivalent SnCu12 cuboctahedra, corners with fourteen CuCu8Sn4 cuboctahedra, edges with six equivalent SnCu12 cuboctahedra, edges with twelve equivalent CuCu8Sn4 cuboctahedra, faces with four equivalent SnCu12 cuboctahedra, and faces with sixteen CuCu8Sn4 cuboctahedra. There are two shorter (2.76 Å) and two longer (2.77 Å) Cu–Sn bond lengths. Sn is bonded to twelve Cu atoms to form SnCu12 cuboctahedra that share corners with six equivalent SnCu12 cuboctahedra, corners with twelve CuCu8Sn4 cuboctahedra, edges with eighteenmore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-13138

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; Cu3Sn; Cu-Sn

OSTI Identifier:: 1189408

DOI:: https://doi.org/10.17188/1189408

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                    The Materials Project. Materials Data on Cu3Sn by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189408.

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                    The Materials Project. Materials Data on Cu3Sn by Materials Project.  United States.  doi:https://doi.org/10.17188/1189408

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                    The Materials Project. 2020.  
"Materials Data on Cu3Sn by Materials Project".  United States.  doi:https://doi.org/10.17188/1189408.  https://www.osti.gov/servlets/purl/1189408. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1189408,

  title        = {Materials Data on Cu3Sn by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cu3Sn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Cu sites. In the first Cu site, Cu is bonded to eight Cu and four equivalent Sn atoms to form CuCu8Sn4 cuboctahedra that share corners with four equivalent SnCu12 cuboctahedra, corners with fourteen equivalent CuCu8Sn4 cuboctahedra, edges with six equivalent SnCu12 cuboctahedra, edges with twelve CuCu8Sn4 cuboctahedra, faces with four equivalent SnCu12 cuboctahedra, and faces with sixteen CuCu8Sn4 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.59–2.95 Å. There are two shorter (2.76 Å) and two longer (2.77 Å) Cu–Sn bond lengths. In the second Cu site, Cu is bonded to eight equivalent Cu and four equivalent Sn atoms to form CuCu8Sn4 cuboctahedra that share corners with four equivalent SnCu12 cuboctahedra, corners with fourteen CuCu8Sn4 cuboctahedra, edges with six equivalent SnCu12 cuboctahedra, edges with twelve equivalent CuCu8Sn4 cuboctahedra, faces with four equivalent SnCu12 cuboctahedra, and faces with sixteen CuCu8Sn4 cuboctahedra. There are two shorter (2.76 Å) and two longer (2.77 Å) Cu–Sn bond lengths. Sn is bonded to twelve Cu atoms to form SnCu12 cuboctahedra that share corners with six equivalent SnCu12 cuboctahedra, corners with twelve CuCu8Sn4 cuboctahedra, edges with eighteen CuCu8Sn4 cuboctahedra, faces with eight equivalent SnCu12 cuboctahedra, and faces with twelve CuCu8Sn4 cuboctahedra.},

  doi          = {10.17188/1189408},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1189408

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