Materials Data on Sm5Co19 by Materials Project

doi:10.17188/1655744

Title: Materials Data on Sm5Co19 by Materials Project

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Abstract

Sm5Co19 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Sm–Co bond distances ranging from 2.88–3.12 Å. In the second Sm site, Sm is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Sm–Co bond distances ranging from 2.88–3.24 Å. In the third Sm site, Sm is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.88 Å) and twelve longer (3.18 Å) Sm–Co bond lengths. There are six inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Sm and six Co atoms. There are three shorter (2.41 Å) and three longer (2.45 Å) Co–Co bond lengths. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Sm and six Co atoms. There are three shorter (2.41 Å) and three longer (2.44 Å) Co–Co bond lengths. In the third Co site, Co is bonded to five Sm and seven Co atoms to form a mixture of distorted corner,more »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1197433

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; Sm5Co19; Co-Sm

OSTI Identifier:: 1655744

DOI:: https://doi.org/10.17188/1655744

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                    The Materials Project. Materials Data on Sm5Co19 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1655744.

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                    The Materials Project. Materials Data on Sm5Co19 by Materials Project.  United States.  doi:https://doi.org/10.17188/1655744

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                    The Materials Project. 2019.  
"Materials Data on Sm5Co19 by Materials Project".  United States.  doi:https://doi.org/10.17188/1655744.  https://www.osti.gov/servlets/purl/1655744. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1655744,

  title        = {Materials Data on Sm5Co19 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm5Co19 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Sm–Co bond distances ranging from 2.88–3.12 Å. In the second Sm site, Sm is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Sm–Co bond distances ranging from 2.88–3.24 Å. In the third Sm site, Sm is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.88 Å) and twelve longer (3.18 Å) Sm–Co bond lengths. There are six inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Sm and six Co atoms. There are three shorter (2.41 Å) and three longer (2.45 Å) Co–Co bond lengths. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Sm and six Co atoms. There are three shorter (2.41 Å) and three longer (2.44 Å) Co–Co bond lengths. In the third Co site, Co is bonded to five Sm and seven Co atoms to form a mixture of distorted corner, edge, and face-sharing CoSm5Co7 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.48–2.54 Å. In the fourth Co site, Co is bonded in a 12-coordinate geometry to three equivalent Sm and six equivalent Co atoms. All Co–Co bond lengths are 2.44 Å. In the fifth Co site, Co is bonded to six equivalent Sm and six equivalent Co atoms to form CoSm6Co6 cuboctahedra that share corners with twelve equivalent CoSm5Co7 cuboctahedra, edges with six equivalent CoSm6Co6 cuboctahedra, and faces with eighteen equivalent CoSm5Co7 cuboctahedra. In the sixth Co site, Co is bonded to four Sm and eight Co atoms to form a mixture of corner, edge, and face-sharing CoSm4Co8 cuboctahedra. There are two shorter (2.49 Å) and two longer (2.50 Å) Co–Co bond lengths.},

  doi          = {10.17188/1655744},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1655744

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