Materials Data on Ca2Ag7 by Materials Project

doi:10.17188/1192155

Title: Materials Data on Ca2Ag7 by Materials Project

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Abstract

Ag7Ca2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to fourteen Ag atoms. There are a spread of Ca–Ag bond distances ranging from 3.22–3.42 Å. There are three inequivalent Ag sites. In the first Ag site, Ag is bonded to four equivalent Ca and eight Ag atoms to form a mixture of face, edge, and corner-sharing AgCa4Ag8 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.78–2.94 Å. In the second Ag site, Ag is bonded to four equivalent Ca and eight Ag atoms to form a mixture of face, edge, and corner-sharing AgCa4Ag8 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.79–2.96 Å. In the third Ag site, Ag is bonded in a 12-coordinate geometry to four equivalent Ca and eight Ag atoms. There are a spread of Ag–Ag bond distances ranging from 2.86–3.23 Å.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-16770

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; Ca2Ag7; Ag-Ca

OSTI Identifier:: 1192155

DOI:: https://doi.org/10.17188/1192155

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                    The Materials Project. Materials Data on Ca2Ag7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192155.

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                    The Materials Project. Materials Data on Ca2Ag7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192155

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                    The Materials Project. 2020.  
"Materials Data on Ca2Ag7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192155.  https://www.osti.gov/servlets/purl/1192155. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1192155,

  title        = {Materials Data on Ca2Ag7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag7Ca2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to fourteen Ag atoms. There are a spread of Ca–Ag bond distances ranging from 3.22–3.42 Å. There are three inequivalent Ag sites. In the first Ag site, Ag is bonded to four equivalent Ca and eight Ag atoms to form a mixture of face, edge, and corner-sharing AgCa4Ag8 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.78–2.94 Å. In the second Ag site, Ag is bonded to four equivalent Ca and eight Ag atoms to form a mixture of face, edge, and corner-sharing AgCa4Ag8 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.79–2.96 Å. In the third Ag site, Ag is bonded in a 12-coordinate geometry to four equivalent Ca and eight Ag atoms. There are a spread of Ag–Ag bond distances ranging from 2.86–3.23 Å.},

  doi          = {10.17188/1192155},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1192155

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