Materials Data on CaCd2 by Materials Project

doi:10.17188/1187357

Title: Materials Data on CaCd2 by Materials Project

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Abstract

CaCd2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to twelve Cd atoms. There are a spread of Ca–Cd bond distances ranging from 3.45–3.57 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to six equivalent Ca and six equivalent Cd atoms to form a mixture of edge, face, and corner-sharing CdCa6Cd6 cuboctahedra. All Cd–Cd bond lengths are 3.01 Å. In the second Cd site, Cd is bonded to six equivalent Ca and six Cd atoms to form a mixture of edge, face, and corner-sharing CdCa6Cd6 cuboctahedra. There are two shorter (2.98 Å) and two longer (3.13 Å) Cd–Cd bond lengths.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-1078

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; CaCd2; Ca-Cd

OSTI Identifier:: 1187357

DOI:: https://doi.org/10.17188/1187357

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                    The Materials Project. Materials Data on CaCd2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187357.

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                    The Materials Project. Materials Data on CaCd2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187357

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                    The Materials Project. 2020.  
"Materials Data on CaCd2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187357.  https://www.osti.gov/servlets/purl/1187357. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1187357,

  title        = {Materials Data on CaCd2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CaCd2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to twelve Cd atoms. There are a spread of Ca–Cd bond distances ranging from 3.45–3.57 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to six equivalent Ca and six equivalent Cd atoms to form a mixture of edge, face, and corner-sharing CdCa6Cd6 cuboctahedra. All Cd–Cd bond lengths are 3.01 Å. In the second Cd site, Cd is bonded to six equivalent Ca and six Cd atoms to form a mixture of edge, face, and corner-sharing CdCa6Cd6 cuboctahedra. There are two shorter (2.98 Å) and two longer (3.13 Å) Cd–Cd bond lengths.},

  doi          = {10.17188/1187357},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1187357

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