Materials Data on Sm3Zn by Materials Project

doi:10.17188/1315998

Title: Materials Data on Sm3Zn by Materials Project

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Abstract

Sm3Zn is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to eight Sm and four equivalent Zn atoms to form distorted SmSm8Zn4 cuboctahedra that share corners with twelve equivalent SmSm8Zn4 cuboctahedra, edges with eight equivalent ZnSm12 cuboctahedra, edges with sixteen SmSm8Zn4 cuboctahedra, faces with four equivalent ZnSm12 cuboctahedra, and faces with fourteen SmSm8Zn4 cuboctahedra. There are four shorter (3.36 Å) and four longer (3.44 Å) Sm–Sm bond lengths. All Sm–Zn bond lengths are 3.44 Å. In the second Sm site, Sm is bonded to eight equivalent Sm and four equivalent Zn atoms to form distorted SmSm8Zn4 cuboctahedra that share corners with four equivalent SmSm8Zn4 cuboctahedra, corners with eight equivalent ZnSm12 cuboctahedra, edges with twenty-four SmSm8Zn4 cuboctahedra, faces with six equivalent ZnSm12 cuboctahedra, and faces with twelve SmSm8Zn4 cuboctahedra. All Sm–Zn bond lengths are 3.36 Å. Zn is bonded to twelve Sm atoms to form ZnSm12 cuboctahedra that share corners with four equivalent ZnSm12 cuboctahedra, corners with eight equivalent SmSm8Zn4 cuboctahedra, edges with eight equivalent ZnSm12 cuboctahedra, edges with sixteen equivalent SmSm8Zn4 cuboctahedra, faces with four equivalent ZnSm12 cuboctahedra, andmore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-978828

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; Sm3Zn; Sm-Zn

OSTI Identifier:: 1315998

DOI:: https://doi.org/10.17188/1315998

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                    The Materials Project. Materials Data on Sm3Zn by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1315998.

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                    The Materials Project. Materials Data on Sm3Zn by Materials Project.  United States.  doi:https://doi.org/10.17188/1315998

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                    The Materials Project. 2020.  
"Materials Data on Sm3Zn by Materials Project".  United States.  doi:https://doi.org/10.17188/1315998.  https://www.osti.gov/servlets/purl/1315998. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1315998,

  title        = {Materials Data on Sm3Zn by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm3Zn is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to eight Sm and four equivalent Zn atoms to form distorted SmSm8Zn4 cuboctahedra that share corners with twelve equivalent SmSm8Zn4 cuboctahedra, edges with eight equivalent ZnSm12 cuboctahedra, edges with sixteen SmSm8Zn4 cuboctahedra, faces with four equivalent ZnSm12 cuboctahedra, and faces with fourteen SmSm8Zn4 cuboctahedra. There are four shorter (3.36 Å) and four longer (3.44 Å) Sm–Sm bond lengths. All Sm–Zn bond lengths are 3.44 Å. In the second Sm site, Sm is bonded to eight equivalent Sm and four equivalent Zn atoms to form distorted SmSm8Zn4 cuboctahedra that share corners with four equivalent SmSm8Zn4 cuboctahedra, corners with eight equivalent ZnSm12 cuboctahedra, edges with twenty-four SmSm8Zn4 cuboctahedra, faces with six equivalent ZnSm12 cuboctahedra, and faces with twelve SmSm8Zn4 cuboctahedra. All Sm–Zn bond lengths are 3.36 Å. Zn is bonded to twelve Sm atoms to form ZnSm12 cuboctahedra that share corners with four equivalent ZnSm12 cuboctahedra, corners with eight equivalent SmSm8Zn4 cuboctahedra, edges with eight equivalent ZnSm12 cuboctahedra, edges with sixteen equivalent SmSm8Zn4 cuboctahedra, faces with four equivalent ZnSm12 cuboctahedra, and faces with fourteen SmSm8Zn4 cuboctahedra.},

  doi          = {10.17188/1315998},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1315998

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