Materials Data on CdNi by Materials Project

doi:10.17188/1316688

Title: Materials Data on CdNi by Materials Project

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Abstract

NiCd crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded to six equivalent Ni and six equivalent Cd atoms to form face-sharing NiCd6Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.45 Å. All Ni–Cd bond lengths are 2.85 Å. In the second Ni site, Ni is bonded in a distorted q6 geometry to six Ni and six equivalent Cd atoms. All Ni–Ni bond lengths are 2.53 Å. There are three shorter (2.80 Å) and three longer (2.85 Å) Ni–Cd bond lengths. Cd is bonded in a 6-coordinate geometry to six Ni and eight equivalent Cd atoms. There are four shorter (2.98 Å) and four longer (3.23 Å) Cd–Cd bond lengths.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-985556

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; CdNi; Cd-Ni

OSTI Identifier:: 1316688

DOI:: https://doi.org/10.17188/1316688

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                    The Materials Project. Materials Data on CdNi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316688.

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                    The Materials Project. Materials Data on CdNi by Materials Project.  United States.  doi:https://doi.org/10.17188/1316688

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                    The Materials Project. 2020.  
"Materials Data on CdNi by Materials Project".  United States.  doi:https://doi.org/10.17188/1316688.  https://www.osti.gov/servlets/purl/1316688. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1316688,

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

  author       = {The Materials Project},

  abstractNote = {NiCd crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded to six equivalent Ni and six equivalent Cd atoms to form face-sharing NiCd6Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.45 Å. All Ni–Cd bond lengths are 2.85 Å. In the second Ni site, Ni is bonded in a distorted q6 geometry to six Ni and six equivalent Cd atoms. All Ni–Ni bond lengths are 2.53 Å. There are three shorter (2.80 Å) and three longer (2.85 Å) Ni–Cd bond lengths. Cd is bonded in a 6-coordinate geometry to six Ni and eight equivalent Cd atoms. There are four shorter (2.98 Å) and four longer (3.23 Å) Cd–Cd bond lengths.},

  doi          = {10.17188/1316688},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1316688

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