Materials Data on Sm5Mg by Materials Project

doi:10.17188/1316369

Title: Materials Data on Sm5Mg by Materials Project

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Abstract

MgSm5 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mg is bonded in a 10-coordinate geometry to ten Sm atoms. There are a spread of Mg–Sm bond distances ranging from 3.47–3.54 Å. There are five inequivalent Sm sites. In the first Sm site, Sm is bonded to twelve Sm atoms to form SmSm12 cuboctahedra that share corners with eighteen SmSm12 cuboctahedra, edges with ten SmSm10Mg2 cuboctahedra, and faces with eighteen SmSm12 cuboctahedra. There are a spread of Sm–Sm bond distances ranging from 3.54–3.65 Å. In the second Sm site, Sm is bonded to four equivalent Mg and eight Sm atoms to form a mixture of corner, edge, and face-sharing SmSm8Mg4 cuboctahedra. There are a spread of Sm–Sm bond distances ranging from 3.45–3.65 Å. In the third Sm site, Sm is bonded to two equivalent Mg and ten Sm atoms to form a mixture of corner, edge, and face-sharing SmSm10Mg2 cuboctahedra. There are four shorter (3.52 Å) and two longer (3.65 Å) Sm–Sm bond lengths. In the fourth Sm site, Sm is bonded to two equivalent Mg and ten Sm atoms to form SmSm10Mg2 cuboctahedra that share corners with twelve SmSm10Mg2 cuboctahedra, edges with fifteen SmSm12 cuboctahedra, andmore »« less

Authors:: The Materials Project

Publication Date:: 2017-06-07

Other Number(s):: mp-981747

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; Sm5Mg; Mg-Sm

OSTI Identifier:: 1316369

DOI:: https://doi.org/10.17188/1316369

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                    The Materials Project. Materials Data on Sm5Mg by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1316369.

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                    The Materials Project. Materials Data on Sm5Mg by Materials Project.  United States.  doi:https://doi.org/10.17188/1316369

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                    The Materials Project. 2017.  
"Materials Data on Sm5Mg by Materials Project".  United States.  doi:https://doi.org/10.17188/1316369.  https://www.osti.gov/servlets/purl/1316369. Pub date:Wed Jun 07 00:00:00 EDT 2017

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@article{osti_1316369,

  title        = {Materials Data on Sm5Mg by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgSm5 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mg is bonded in a 10-coordinate geometry to ten Sm atoms. There are a spread of Mg–Sm bond distances ranging from 3.47–3.54 Å. There are five inequivalent Sm sites. In the first Sm site, Sm is bonded to twelve Sm atoms to form SmSm12 cuboctahedra that share corners with eighteen SmSm12 cuboctahedra, edges with ten SmSm10Mg2 cuboctahedra, and faces with eighteen SmSm12 cuboctahedra. There are a spread of Sm–Sm bond distances ranging from 3.54–3.65 Å. In the second Sm site, Sm is bonded to four equivalent Mg and eight Sm atoms to form a mixture of corner, edge, and face-sharing SmSm8Mg4 cuboctahedra. There are a spread of Sm–Sm bond distances ranging from 3.45–3.65 Å. In the third Sm site, Sm is bonded to two equivalent Mg and ten Sm atoms to form a mixture of corner, edge, and face-sharing SmSm10Mg2 cuboctahedra. There are four shorter (3.52 Å) and two longer (3.65 Å) Sm–Sm bond lengths. In the fourth Sm site, Sm is bonded to two equivalent Mg and ten Sm atoms to form SmSm10Mg2 cuboctahedra that share corners with twelve SmSm10Mg2 cuboctahedra, edges with fifteen SmSm12 cuboctahedra, and faces with eighteen SmSm12 cuboctahedra. All Sm–Sm bond lengths are 3.65 Å. In the fifth Sm site, Sm is bonded to two equivalent Mg and ten Sm atoms to form distorted SmSm10Mg2 cuboctahedra that share corners with twelve SmSm10Mg2 cuboctahedra, edges with fifteen SmSm8Mg4 cuboctahedra, and faces with eighteen SmSm12 cuboctahedra. Both Sm–Sm bond lengths are 3.65 Å.},

  doi          = {10.17188/1316369},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {6}

}

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DOI: https://doi.org/10.17188/1316369

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