Materials Data on Sm11Cd45 by Materials Project

doi:10.17188/1273712

Title: Materials Data on Sm11Cd45 by Materials Project

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Abstract

Sm11Cd45 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are five inequivalent Sm sites. In the first Sm site, Sm is bonded in a 10-coordinate geometry to sixteen Cd atoms. There are a spread of Sm–Cd bond distances ranging from 3.18–3.71 Å. In the second Sm site, Sm is bonded in a 3-coordinate geometry to sixteen Cd atoms. There are a spread of Sm–Cd bond distances ranging from 3.31–3.56 Å. In the third Sm site, Sm is bonded in a 12-coordinate geometry to fourteen Cd atoms. There are a spread of Sm–Cd bond distances ranging from 3.20–3.85 Å. In the fourth Sm site, Sm is bonded in a 4-coordinate geometry to sixteen Cd atoms. There are four shorter (3.29 Å) and twelve longer (3.41 Å) Sm–Cd bond lengths. In the fifth Sm site, Sm is bonded in a 8-coordinate geometry to fourteen Cd atoms. There are a spread of Sm–Cd bond distances ranging from 3.17–3.44 Å. There are fourteen inequivalent Cd sites. In the first Cd site, Cd is bonded in a 11-coordinate geometry to four Sm and seven Cd atoms. There are a spread of Cd–Cd bond distancesmore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-567122

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; Sm11Cd45; Cd-Sm

OSTI Identifier:: 1273712

DOI:: https://doi.org/10.17188/1273712

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                    The Materials Project. Materials Data on Sm11Cd45 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1273712.

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                    The Materials Project. Materials Data on Sm11Cd45 by Materials Project.  United States.  doi:https://doi.org/10.17188/1273712

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                    The Materials Project. 2020.  
"Materials Data on Sm11Cd45 by Materials Project".  United States.  doi:https://doi.org/10.17188/1273712.  https://www.osti.gov/servlets/purl/1273712. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1273712,

  title        = {Materials Data on Sm11Cd45 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm11Cd45 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are five inequivalent Sm sites. In the first Sm site, Sm is bonded in a 10-coordinate geometry to sixteen Cd atoms. There are a spread of Sm–Cd bond distances ranging from 3.18–3.71 Å. In the second Sm site, Sm is bonded in a 3-coordinate geometry to sixteen Cd atoms. There are a spread of Sm–Cd bond distances ranging from 3.31–3.56 Å. In the third Sm site, Sm is bonded in a 12-coordinate geometry to fourteen Cd atoms. There are a spread of Sm–Cd bond distances ranging from 3.20–3.85 Å. In the fourth Sm site, Sm is bonded in a 4-coordinate geometry to sixteen Cd atoms. There are four shorter (3.29 Å) and twelve longer (3.41 Å) Sm–Cd bond lengths. In the fifth Sm site, Sm is bonded in a 8-coordinate geometry to fourteen Cd atoms. There are a spread of Sm–Cd bond distances ranging from 3.17–3.44 Å. There are fourteen inequivalent Cd sites. In the first Cd site, Cd is bonded in a 11-coordinate geometry to four Sm and seven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.12–3.26 Å. In the second Cd site, Cd is bonded in a 3-coordinate geometry to three Sm and eight Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.98–3.32 Å. In the third Cd site, Cd is bonded to three Sm and nine Cd atoms to form a mixture of distorted face, edge, and corner-sharing CdSm3Cd9 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.83–3.40 Å. In the fourth Cd site, Cd is bonded in a 11-coordinate geometry to four Sm and seven Cd atoms. There are one shorter (3.07 Å) and six longer (3.27 Å) Cd–Cd bond lengths. In the fifth Cd site, Cd is bonded in a 11-coordinate geometry to three equivalent Sm and eight Cd atoms. There are one shorter (3.04 Å) and three longer (3.06 Å) Cd–Cd bond lengths. In the sixth Cd site, Cd is bonded in a distorted body-centered cubic geometry to four equivalent Sm and four equivalent Cd atoms. In the seventh Cd site, Cd is bonded in a 11-coordinate geometry to four Sm and seven Cd atoms. All Cd–Sm bond lengths are 3.48 Å. There are a spread of Cd–Cd bond distances ranging from 3.12–3.26 Å. In the eighth Cd site, Cd is bonded in a 4-coordinate geometry to four equivalent Sm and twelve equivalent Cd atoms. In the ninth Cd site, Cd is bonded to four Sm and eight Cd atoms to form a mixture of distorted face, edge, and corner-sharing CdSm4Cd8 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.85–3.35 Å. In the tenth Cd site, Cd is bonded in a 12-coordinate geometry to three Sm and nine Cd atoms. There are one shorter (3.05 Å) and two longer (3.26 Å) Cd–Cd bond lengths. In the eleventh Cd site, Cd is bonded in a distorted body-centered cubic geometry to four Sm and four Cd atoms. Both Cd–Cd bond lengths are 2.93 Å. In the twelfth Cd site, Cd is bonded in a 12-coordinate geometry to four Sm and eight Cd atoms. In the thirteenth Cd site, Cd is bonded in a distorted body-centered cubic geometry to four Sm and four Cd atoms. All Cd–Cd bond lengths are 3.05 Å. In the fourteenth Cd site, Cd is bonded in a 9-coordinate geometry to five Sm and eight Cd atoms.},

  doi          = {10.17188/1273712},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1273712

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