Materials Data on Y4CdRu by Materials Project

doi:10.17188/1274278

Title: Materials Data on Y4CdRu by Materials Project

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Abstract

Y4RuCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 4-coordinate geometry to two equivalent Ru and two equivalent Cd atoms. Both Y–Ru bond lengths are 3.47 Å. Both Y–Cd bond lengths are 3.30 Å. In the second Y site, Y is bonded in a 3-coordinate geometry to three equivalent Ru and three equivalent Cd atoms. All Y–Ru bond lengths are 2.85 Å. All Y–Cd bond lengths are 3.48 Å. In the third Y site, Y is bonded in a distorted bent 150 degrees geometry to two equivalent Ru and two equivalent Cd atoms. Both Y–Ru bond lengths are 2.78 Å. Both Y–Cd bond lengths are 3.51 Å. Ru is bonded in a 6-coordinate geometry to nine Y atoms. Cd is bonded to nine Y and three equivalent Cd atoms to form a mixture of corner and face-sharing CdY9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.09 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-568156

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; Y4CdRu; Cd-Ru-Y

OSTI Identifier:: 1274278

DOI:: https://doi.org/10.17188/1274278

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                    The Materials Project. Materials Data on Y4CdRu by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274278.

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                    The Materials Project. Materials Data on Y4CdRu by Materials Project.  United States.  doi:https://doi.org/10.17188/1274278

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                    The Materials Project. 2020.  
"Materials Data on Y4CdRu by Materials Project".  United States.  doi:https://doi.org/10.17188/1274278.  https://www.osti.gov/servlets/purl/1274278. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1274278,

  title        = {Materials Data on Y4CdRu by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y4RuCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 4-coordinate geometry to two equivalent Ru and two equivalent Cd atoms. Both Y–Ru bond lengths are 3.47 Å. Both Y–Cd bond lengths are 3.30 Å. In the second Y site, Y is bonded in a 3-coordinate geometry to three equivalent Ru and three equivalent Cd atoms. All Y–Ru bond lengths are 2.85 Å. All Y–Cd bond lengths are 3.48 Å. In the third Y site, Y is bonded in a distorted bent 150 degrees geometry to two equivalent Ru and two equivalent Cd atoms. Both Y–Ru bond lengths are 2.78 Å. Both Y–Cd bond lengths are 3.51 Å. Ru is bonded in a 6-coordinate geometry to nine Y atoms. Cd is bonded to nine Y and three equivalent Cd atoms to form a mixture of corner and face-sharing CdY9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.09 Å.},

  doi          = {10.17188/1274278},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1274278

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