Materials Data on Sm14Ag51 by Materials Project

doi:10.17188/1672418

Title: Materials Data on Sm14Ag51 by Materials Project

Dataset
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Abstract

Ag51Sm14 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are five inequivalent Sm sites. In the first Sm site, Sm is bonded in a 8-coordinate geometry to fourteen Ag atoms. There are a spread of Sm–Ag bond distances ranging from 3.15–3.43 Å. In the second Sm site, Sm is bonded in a 8-coordinate geometry to fourteen Ag atoms. There are a spread of Sm–Ag bond distances ranging from 3.14–3.37 Å. In the third Sm site, Sm is bonded in a 4-coordinate geometry to fourteen Ag atoms. There are a spread of Sm–Ag bond distances ranging from 3.16–3.67 Å. In the fourth Sm site, Sm is bonded in a 12-coordinate geometry to fourteen Ag atoms. There are a spread of Sm–Ag bond distances ranging from 3.02–3.43 Å. In the fifth Sm site, Sm is bonded in a 6-coordinate geometry to fifteen Ag atoms. There are a spread of Sm–Ag bond distances ranging from 3.16–3.36 Å. There are thirteen inequivalent Ag sites. In the first Ag site, Ag is bonded in a 11-coordinate geometry to three equivalent Sm and eight Ag atoms. There are two shorter (2.80 Å) and six longermore »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1219378

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; Sm14Ag51; Ag-Sm

OSTI Identifier:: 1672418

DOI:: https://doi.org/10.17188/1672418

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                    The Materials Project. Materials Data on Sm14Ag51 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1672418.

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                    The Materials Project. Materials Data on Sm14Ag51 by Materials Project.  United States.  doi:https://doi.org/10.17188/1672418

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                    The Materials Project. 2020.  
"Materials Data on Sm14Ag51 by Materials Project".  United States.  doi:https://doi.org/10.17188/1672418.  https://www.osti.gov/servlets/purl/1672418. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1672418,

  title        = {Materials Data on Sm14Ag51 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag51Sm14 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are five inequivalent Sm sites. In the first Sm site, Sm is bonded in a 8-coordinate geometry to fourteen Ag atoms. There are a spread of Sm–Ag bond distances ranging from 3.15–3.43 Å. In the second Sm site, Sm is bonded in a 8-coordinate geometry to fourteen Ag atoms. There are a spread of Sm–Ag bond distances ranging from 3.14–3.37 Å. In the third Sm site, Sm is bonded in a 4-coordinate geometry to fourteen Ag atoms. There are a spread of Sm–Ag bond distances ranging from 3.16–3.67 Å. In the fourth Sm site, Sm is bonded in a 12-coordinate geometry to fourteen Ag atoms. There are a spread of Sm–Ag bond distances ranging from 3.02–3.43 Å. In the fifth Sm site, Sm is bonded in a 6-coordinate geometry to fifteen Ag atoms. There are a spread of Sm–Ag bond distances ranging from 3.16–3.36 Å. There are thirteen inequivalent Ag sites. In the first Ag site, Ag is bonded in a 11-coordinate geometry to three equivalent Sm and eight Ag atoms. There are two shorter (2.80 Å) and six longer (2.97 Å) Ag–Ag bond lengths. In the second Ag site, Ag is bonded in a 11-coordinate geometry to three equivalent Sm and eight Ag atoms. There are two shorter (2.80 Å) and six longer (2.95 Å) Ag–Ag bond lengths. In the third Ag site, Ag is bonded in a 11-coordinate geometry to four Sm and seven Ag atoms. There are a spread of Ag–Ag bond distances ranging from 2.84–3.20 Å. In the fourth Ag site, Ag is bonded in a 11-coordinate geometry to four Sm and seven Ag atoms. There are a spread of Ag–Ag bond distances ranging from 2.84–3.16 Å. In the fifth Ag site, Ag is bonded in a 10-coordinate geometry to three equivalent Sm and seven Ag atoms. All Ag–Ag bond lengths are 2.92 Å. In the sixth Ag site, Ag is bonded in a 11-coordinate geometry to four Sm and seven Ag atoms. There are a spread of Ag–Ag bond distances ranging from 2.83–3.10 Å. In the seventh Ag site, Ag is bonded in a 12-coordinate geometry to four Sm and eight Ag atoms. There are a spread of Ag–Ag bond distances ranging from 2.82–3.12 Å. In the eighth Ag site, Ag is bonded in a 11-coordinate geometry to four Sm and seven Ag atoms. Both Ag–Ag bond lengths are 2.90 Å. In the ninth Ag site, Ag is bonded in a 12-coordinate geometry to four Sm and eight Ag atoms. There are two shorter (2.95 Å) and one longer (2.97 Å) Ag–Ag bond lengths. In the tenth Ag site, Ag is bonded to four Sm and eight Ag atoms to form a mixture of face and edge-sharing AgSm4Ag8 cuboctahedra. There are one shorter (2.79 Å) and one longer (2.81 Å) Ag–Ag bond lengths. In the eleventh Ag site, Ag is bonded in a 10-coordinate geometry to three equivalent Sm and seven Ag atoms. In the twelfth Ag site, Ag is bonded to four Sm and eight Ag atoms to form a mixture of face and edge-sharing AgSm4Ag8 cuboctahedra. In the thirteenth Ag site, Ag is bonded in a 1-coordinate geometry to four Sm and six Ag atoms. Both Ag–Ag bond lengths are 2.85 Å.},

  doi          = {10.17188/1672418},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1672418

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