Materials Data on Ca5Ag3 by Materials Project

doi:10.17188/1205478

Title: Materials Data on Ca5Ag3 by Materials Project

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Abstract

Ag3Ca5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to five Ag atoms to form a mixture of distorted edge, corner, and face-sharing CaAg5 trigonal bipyramids. There are a spread of Ca–Ag bond distances ranging from 3.19–3.37 Å. In the second Ca site, Ca is bonded in a distorted square co-planar geometry to six Ag atoms. There are four shorter (3.16 Å) and two longer (3.74 Å) Ca–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 10-coordinate geometry to ten Ca atoms. In the second Ag site, Ag is bonded in a 9-coordinate geometry to eight Ca and one Ag atom. The Ag–Ag bond length is 2.88 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-31172

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; Ca5Ag3; Ag-Ca

OSTI Identifier:: 1205478

DOI:: https://doi.org/10.17188/1205478

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                    The Materials Project. Materials Data on Ca5Ag3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205478.

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                    The Materials Project. Materials Data on Ca5Ag3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205478

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                    The Materials Project. 2020.  
"Materials Data on Ca5Ag3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205478.  https://www.osti.gov/servlets/purl/1205478. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1205478,

  title        = {Materials Data on Ca5Ag3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag3Ca5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to five Ag atoms to form a mixture of distorted edge, corner, and face-sharing CaAg5 trigonal bipyramids. There are a spread of Ca–Ag bond distances ranging from 3.19–3.37 Å. In the second Ca site, Ca is bonded in a distorted square co-planar geometry to six Ag atoms. There are four shorter (3.16 Å) and two longer (3.74 Å) Ca–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 10-coordinate geometry to ten Ca atoms. In the second Ag site, Ag is bonded in a 9-coordinate geometry to eight Ca and one Ag atom. The Ag–Ag bond length is 2.88 Å.},

  doi          = {10.17188/1205478},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1205478

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