Materials Data on SmCd3 by Materials Project

doi:10.17188/1316149

Title: Materials Data on SmCd3 by Materials Project

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Abstract

SmCd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to twelve Cd atoms to form a mixture of corner and face-sharing SmCd12 cuboctahedra. There are six shorter (3.23 Å) and six longer (3.38 Å) Sm–Cd bond lengths. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a 12-coordinate geometry to four equivalent Sm and eight equivalent Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.14–3.50 Å. In the second Cd site, Cd is bonded in a 12-coordinate geometry to four equivalent Sm and eight Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.14–3.50 Å. In the third Cd site, Cd is bonded in a 12-coordinate geometry to four equivalent Sm and eight equivalent Cd atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-979465

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; SmCd3; Cd-Sm

OSTI Identifier:: 1316149

DOI:: https://doi.org/10.17188/1316149

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                    The Materials Project. Materials Data on SmCd3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316149.

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                    The Materials Project. Materials Data on SmCd3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316149

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                    The Materials Project. 2020.  
"Materials Data on SmCd3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316149.  https://www.osti.gov/servlets/purl/1316149. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1316149,

  title        = {Materials Data on SmCd3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SmCd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to twelve Cd atoms to form a mixture of corner and face-sharing SmCd12 cuboctahedra. There are six shorter (3.23 Å) and six longer (3.38 Å) Sm–Cd bond lengths. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a 12-coordinate geometry to four equivalent Sm and eight equivalent Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.14–3.50 Å. In the second Cd site, Cd is bonded in a 12-coordinate geometry to four equivalent Sm and eight Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.14–3.50 Å. In the third Cd site, Cd is bonded in a 12-coordinate geometry to four equivalent Sm and eight equivalent Cd atoms.},

  doi          = {10.17188/1316149},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1316149

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