Materials Data on Cd43Pd8 by Materials Project

doi:10.17188/1749724

Title: Materials Data on Cd43Pd8 by Materials Project

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Abstract

Pd8Cd43 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted q6 geometry to twelve Cd atoms. There are a spread of Pd–Cd bond distances ranging from 2.90–3.10 Å. In the second Pd site, Pd is bonded in a 11-coordinate geometry to eleven Cd atoms. There are a spread of Pd–Cd bond distances ranging from 2.88–3.12 Å. In the third Pd site, Pd is bonded in a distorted q6 geometry to twelve Cd atoms. There are a spread of Pd–Cd bond distances ranging from 2.87–3.10 Å. In the fourth Pd site, Pd is bonded in a distorted q6 geometry to twelve Cd atoms. There are a spread of Pd–Cd bond distances ranging from 2.89–3.14 Å. There are thirteen inequivalent Cd sites. In the first Cd site, Cd is bonded in a 3-coordinate geometry to three equivalent Pd and nine Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.97–3.04 Å. In the second Cd site, Cd is bonded in a 3-coordinate geometry to three Pd and nine Cd atoms. There are a spread of Cd–Cd bond distances ranging frommore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1227077

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; Cd43Pd8; Cd-Pd

OSTI Identifier:: 1749724

DOI:: https://doi.org/10.17188/1749724

Citation Formats


                    The Materials Project. Materials Data on Cd43Pd8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749724.

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                    The Materials Project. Materials Data on Cd43Pd8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1749724

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                    The Materials Project. 2020.  
"Materials Data on Cd43Pd8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1749724.  https://www.osti.gov/servlets/purl/1749724. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1749724,

  title        = {Materials Data on Cd43Pd8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pd8Cd43 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted q6 geometry to twelve Cd atoms. There are a spread of Pd–Cd bond distances ranging from 2.90–3.10 Å. In the second Pd site, Pd is bonded in a 11-coordinate geometry to eleven Cd atoms. There are a spread of Pd–Cd bond distances ranging from 2.88–3.12 Å. In the third Pd site, Pd is bonded in a distorted q6 geometry to twelve Cd atoms. There are a spread of Pd–Cd bond distances ranging from 2.87–3.10 Å. In the fourth Pd site, Pd is bonded in a distorted q6 geometry to twelve Cd atoms. There are a spread of Pd–Cd bond distances ranging from 2.89–3.14 Å. There are thirteen inequivalent Cd sites. In the first Cd site, Cd is bonded in a 3-coordinate geometry to three equivalent Pd and nine Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.97–3.04 Å. In the second Cd site, Cd is bonded in a 3-coordinate geometry to three Pd and nine Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.97–3.04 Å. In the third Cd site, Cd is bonded in a 2-coordinate geometry to two equivalent Pd and ten Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.87–3.53 Å. In the fourth Cd site, Cd is bonded in a 2-coordinate geometry to two equivalent Pd and eleven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.89–3.57 Å. In the fifth Cd site, Cd is bonded in a 2-coordinate geometry to two Pd and eleven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.95–3.37 Å. In the sixth Cd site, Cd is bonded in a 2-coordinate geometry to two Pd and eleven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.00–3.39 Å. In the seventh Cd site, Cd is bonded in a 11-coordinate geometry to three Pd and eight Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.92–3.04 Å. In the eighth Cd site, Cd is bonded in a distorted bent 150 degrees geometry to two Pd and four Cd atoms. In the ninth Cd site, Cd is bonded in a distorted bent 150 degrees geometry to two Pd and five Cd atoms. In the tenth Cd site, Cd is bonded in a distorted bent 150 degrees geometry to two Pd and five Cd atoms. In the eleventh Cd site, Cd is bonded in a 2-coordinate geometry to two Pd and five Cd atoms. In the twelfth Cd site, Cd is bonded in a 2-coordinate geometry to two Pd and five Cd atoms. In the thirteenth Cd site, Cd is bonded in a 2-coordinate geometry to two Pd and five Cd atoms.},

  doi          = {10.17188/1749724},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1749724

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