Materials Data on Sm(NiBi)2 by Materials Project

doi:10.17188/1316066

Title: Materials Data on Sm(NiBi)2 by Materials Project

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Abstract

Sm(NiBi)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to eight Ni and nine Bi atoms. There are four shorter (3.29 Å) and four longer (3.60 Å) Sm–Ni bond lengths. There are a spread of Sm–Bi bond distances ranging from 3.45–3.61 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to four equivalent Sm and five Bi atoms. There are one shorter (2.53 Å) and four longer (2.65 Å) Ni–Bi bond lengths. In the second Ni site, Ni is bonded in a distorted body-centered cubic geometry to four equivalent Sm and four equivalent Bi atoms. All Ni–Bi bond lengths are 2.65 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 5-coordinate geometry to five equivalent Sm and five Ni atoms. In the second Bi site, Bi is bonded in a 4-coordinate geometry to four equivalent Sm and four equivalent Ni atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-978997

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; Sm(NiBi)2; Bi-Ni-Sm

OSTI Identifier:: 1316066

DOI:: https://doi.org/10.17188/1316066

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                    The Materials Project. Materials Data on Sm(NiBi)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316066.

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                    The Materials Project. Materials Data on Sm(NiBi)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316066

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                    The Materials Project. 2020.  
"Materials Data on Sm(NiBi)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316066.  https://www.osti.gov/servlets/purl/1316066. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1316066,

  title        = {Materials Data on Sm(NiBi)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm(NiBi)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to eight Ni and nine Bi atoms. There are four shorter (3.29 Å) and four longer (3.60 Å) Sm–Ni bond lengths. There are a spread of Sm–Bi bond distances ranging from 3.45–3.61 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to four equivalent Sm and five Bi atoms. There are one shorter (2.53 Å) and four longer (2.65 Å) Ni–Bi bond lengths. In the second Ni site, Ni is bonded in a distorted body-centered cubic geometry to four equivalent Sm and four equivalent Bi atoms. All Ni–Bi bond lengths are 2.65 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 5-coordinate geometry to five equivalent Sm and five Ni atoms. In the second Bi site, Bi is bonded in a 4-coordinate geometry to four equivalent Sm and four equivalent Ni atoms.},

  doi          = {10.17188/1316066},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1316066

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