Materials Data on Sm4CdIr by Materials Project

doi:10.17188/1732525

Title: Materials Data on Sm4CdIr by Materials Project

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Abstract

Sm4IrCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 3-coordinate geometry to three equivalent Ir and three equivalent Cd atoms. All Sm–Ir bond lengths are 2.89 Å. All Sm–Cd bond lengths are 3.52 Å. In the second Sm site, Sm is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and two equivalent Cd atoms. Both Sm–Ir bond lengths are 2.86 Å. Both Sm–Cd bond lengths are 3.58 Å. In the third Sm site, Sm is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent Cd atoms. Both Sm–Ir bond lengths are 3.55 Å. Both Sm–Cd bond lengths are 3.34 Å. Ir is bonded in a 6-coordinate geometry to nine Sm atoms. Cd is bonded to nine Sm and three equivalent Cd atoms to form a mixture of distorted corner and face-sharing CdSm9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.17 Å.

Authors:: The Materials Project

Publication Date:: Fri May 01 00:00:00 EDT 2020

Other Number(s):: mp-1208937

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; Sm4CdIr; Cd-Ir-Sm

OSTI Identifier:: 1732525

DOI:: https://doi.org/10.17188/1732525

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                    The Materials Project. Materials Data on Sm4CdIr by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1732525.

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                    The Materials Project. Materials Data on Sm4CdIr by Materials Project.  United States.  doi:https://doi.org/10.17188/1732525

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                    The Materials Project. 2020.  
"Materials Data on Sm4CdIr by Materials Project".  United States.  doi:https://doi.org/10.17188/1732525.  https://www.osti.gov/servlets/purl/1732525. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1732525,

  title        = {Materials Data on Sm4CdIr by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm4IrCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 3-coordinate geometry to three equivalent Ir and three equivalent Cd atoms. All Sm–Ir bond lengths are 2.89 Å. All Sm–Cd bond lengths are 3.52 Å. In the second Sm site, Sm is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and two equivalent Cd atoms. Both Sm–Ir bond lengths are 2.86 Å. Both Sm–Cd bond lengths are 3.58 Å. In the third Sm site, Sm is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent Cd atoms. Both Sm–Ir bond lengths are 3.55 Å. Both Sm–Cd bond lengths are 3.34 Å. Ir is bonded in a 6-coordinate geometry to nine Sm atoms. Cd is bonded to nine Sm and three equivalent Cd atoms to form a mixture of distorted corner and face-sharing CdSm9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.17 Å.},

  doi          = {10.17188/1732525},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 01 00:00:00 EDT 2020},

  month        = {Fri May 01 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1732525

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