Materials Data on Cd5Au3 by Materials Project

doi:10.17188/1204787

Title: Materials Data on Cd5Au3 by Materials Project

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Abstract

Au3Cd5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Au sites. In the first Au site, Au is bonded in a 10-coordinate geometry to two equivalent Au and eight equivalent Cd atoms. Both Au–Au bond lengths are 2.74 Å. All Au–Cd bond lengths are 2.95 Å. In the second Au site, Au is bonded in a 10-coordinate geometry to ten Cd atoms. There are a spread of Au–Cd bond distances ranging from 2.88–3.14 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a 6-coordinate geometry to six Au atoms. In the second Cd site, Cd is bonded in a 4-coordinate geometry to four equivalent Au and two equivalent Cd atoms. Both Cd–Cd bond lengths are 2.74 Å.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-30371

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; Cd5Au3; Au-Cd

OSTI Identifier:: 1204787

DOI:: https://doi.org/10.17188/1204787

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                    The Materials Project. Materials Data on Cd5Au3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204787.

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                    The Materials Project. Materials Data on Cd5Au3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204787

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                    The Materials Project. 2020.  
"Materials Data on Cd5Au3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204787.  https://www.osti.gov/servlets/purl/1204787. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1204787,

  title        = {Materials Data on Cd5Au3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Au3Cd5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Au sites. In the first Au site, Au is bonded in a 10-coordinate geometry to two equivalent Au and eight equivalent Cd atoms. Both Au–Au bond lengths are 2.74 Å. All Au–Cd bond lengths are 2.95 Å. In the second Au site, Au is bonded in a 10-coordinate geometry to ten Cd atoms. There are a spread of Au–Cd bond distances ranging from 2.88–3.14 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a 6-coordinate geometry to six Au atoms. In the second Cd site, Cd is bonded in a 4-coordinate geometry to four equivalent Au and two equivalent Cd atoms. Both Cd–Cd bond lengths are 2.74 Å.},

  doi          = {10.17188/1204787},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1204787

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