Materials Data on Nd11Cd45 by Materials Project

doi:10.17188/1715086

Title: Materials Data on Nd11Cd45 by Materials Project

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Abstract

Nd11Cd45 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are five inequivalent Nd sites. In the first Nd site, Nd is bonded in a 8-coordinate geometry to fourteen Cd atoms. There are a spread of Nd–Cd bond distances ranging from 3.18–3.46 Å. In the second Nd site, Nd is bonded in a 12-coordinate geometry to fourteen Cd atoms. There are a spread of Nd–Cd bond distances ranging from 3.19–3.84 Å. In the third Nd site, Nd is bonded in a 4-coordinate geometry to sixteen Cd atoms. There are four shorter (3.32 Å) and twelve longer (3.42 Å) Nd–Cd bond lengths. In the fourth Nd site, Nd is bonded in a 3-coordinate geometry to sixteen Cd atoms. There are a spread of Nd–Cd bond distances ranging from 3.31–3.57 Å. In the fifth Nd site, Nd is bonded in a 10-coordinate geometry to sixteen Cd atoms. There are a spread of Nd–Cd bond distances ranging from 3.19–3.71 Å. There are fourteen inequivalent Cd sites. In the first Cd site, Cd is bonded in a 9-coordinate geometry to five Nd and eight Cd atoms. There are a spread of Cd–Cd bond distancesmore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1205000

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; Nd11Cd45; Cd-Nd

OSTI Identifier:: 1715086

DOI:: https://doi.org/10.17188/1715086

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                    The Materials Project. Materials Data on Nd11Cd45 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1715086.

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                    The Materials Project. Materials Data on Nd11Cd45 by Materials Project.  United States.  doi:https://doi.org/10.17188/1715086

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                    The Materials Project. 2020.  
"Materials Data on Nd11Cd45 by Materials Project".  United States.  doi:https://doi.org/10.17188/1715086.  https://www.osti.gov/servlets/purl/1715086. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1715086,

  title        = {Materials Data on Nd11Cd45 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nd11Cd45 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are five inequivalent Nd sites. In the first Nd site, Nd is bonded in a 8-coordinate geometry to fourteen Cd atoms. There are a spread of Nd–Cd bond distances ranging from 3.18–3.46 Å. In the second Nd site, Nd is bonded in a 12-coordinate geometry to fourteen Cd atoms. There are a spread of Nd–Cd bond distances ranging from 3.19–3.84 Å. In the third Nd site, Nd is bonded in a 4-coordinate geometry to sixteen Cd atoms. There are four shorter (3.32 Å) and twelve longer (3.42 Å) Nd–Cd bond lengths. In the fourth Nd site, Nd is bonded in a 3-coordinate geometry to sixteen Cd atoms. There are a spread of Nd–Cd bond distances ranging from 3.31–3.57 Å. In the fifth Nd site, Nd is bonded in a 10-coordinate geometry to sixteen Cd atoms. There are a spread of Nd–Cd bond distances ranging from 3.19–3.71 Å. There are fourteen inequivalent Cd sites. In the first Cd site, Cd is bonded in a 9-coordinate geometry to five Nd and eight Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.05–3.15 Å. In the second Cd site, Cd is bonded in a 4-coordinate geometry to four equivalent Nd and twelve equivalent Cd atoms. All Cd–Cd bond lengths are 3.42 Å. In the third Cd site, Cd is bonded to three Nd and nine Cd atoms to form a mixture of distorted face, edge, and corner-sharing CdNd3Cd9 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.85–3.20 Å. In the fourth Cd site, Cd is bonded in a distorted body-centered cubic geometry to four Nd and four Cd atoms. There are two shorter (2.91 Å) and two longer (3.10 Å) Cd–Cd bond lengths. In the fifth Cd site, Cd is bonded to four Nd and eight Cd atoms to form a mixture of distorted face, edge, and corner-sharing CdNd4Cd8 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.86–3.38 Å. In the sixth Cd site, Cd is bonded in a 3-coordinate geometry to three Nd and eight Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.07–3.31 Å. In the seventh Cd site, Cd is bonded to four Nd and eight Cd atoms to form distorted CdNd4Cd8 cuboctahedra that share corners with two equivalent CdNd3Cd9 cuboctahedra, edges with two equivalent CdNd4Cd8 cuboctahedra, and faces with twelve CdNd3Cd9 cuboctahedra. Both Cd–Cd bond lengths are 3.27 Å. In the eighth Cd site, Cd is bonded in a 11-coordinate geometry to three equivalent Nd and eight Cd atoms. There are one shorter (3.06 Å) and one longer (3.18 Å) Cd–Cd bond lengths. In the ninth Cd site, Cd is bonded in a 11-coordinate geometry to four Nd and seven Cd atoms. The Cd–Cd bond length is 3.05 Å. In the tenth Cd site, Cd is bonded in a 12-coordinate geometry to three Nd and nine Cd atoms. In the eleventh Cd site, Cd is bonded in a distorted body-centered cubic geometry to four Nd and four Cd atoms. In the twelfth Cd site, Cd is bonded in a distorted body-centered cubic geometry to four equivalent Nd and four equivalent Cd atoms. In the thirteenth Cd site, Cd is bonded in a 11-coordinate geometry to four Nd and seven Cd atoms. All Cd–Nd bond lengths are 3.47 Å. In the fourteenth Cd site, Cd is bonded in a 11-coordinate geometry to four Nd and seven Cd atoms. The Cd–Nd bond length is 3.32 Å. There are a spread of Cd–Cd bond distances ranging from 3.12–3.31 Å.},

  doi          = {10.17188/1715086},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1715086

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