Materials Data on In4Ag9 by Materials Project

doi:10.17188/1197272

Title: Materials Data on In4Ag9 by Materials Project

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Abstract

Ag9In4 is gamma-brass-like structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. there are six inequivalent Ag sites. In the first Ag site, Ag is bonded in a 12-coordinate geometry to nine Ag and three equivalent In atoms. There are a spread of Ag–Ag bond distances ranging from 2.93–2.99 Å. All Ag–In bond lengths are 3.01 Å. In the second Ag site, Ag is bonded to six Ag and six In atoms to form distorted face-sharing AgIn6Ag6 cuboctahedra. There are three shorter (2.90 Å) and three longer (3.06 Å) Ag–Ag bond lengths. All Ag–In bond lengths are 3.01 Å. In the third Ag site, Ag is bonded in a 3-coordinate geometry to nine Ag and three equivalent In atoms. There are three shorter (2.99 Å) and three longer (3.09 Å) Ag–Ag bond lengths. All Ag–In bond lengths are 2.85 Å. In the fourth Ag site, Ag is bonded in a 4-coordinate geometry to seven Ag and six In atoms. There are one shorter (2.88 Å) and four longer (3.24 Å) Ag–Ag bond lengths. There are a spread of Ag–In bond distances ranging from 2.92–3.24 Å. In the fifth Ag site, Ag is bonded in a 11-coordinatemore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-21975

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; In4Ag9; Ag-In

OSTI Identifier:: 1197272

DOI:: https://doi.org/10.17188/1197272

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                    The Materials Project. Materials Data on In4Ag9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197272.

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                    The Materials Project. Materials Data on In4Ag9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1197272

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                    The Materials Project. 2020.  
"Materials Data on In4Ag9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1197272.  https://www.osti.gov/servlets/purl/1197272. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1197272,

  title        = {Materials Data on In4Ag9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag9In4 is gamma-brass-like structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. there are six inequivalent Ag sites. In the first Ag site, Ag is bonded in a 12-coordinate geometry to nine Ag and three equivalent In atoms. There are a spread of Ag–Ag bond distances ranging from 2.93–2.99 Å. All Ag–In bond lengths are 3.01 Å. In the second Ag site, Ag is bonded to six Ag and six In atoms to form distorted face-sharing AgIn6Ag6 cuboctahedra. There are three shorter (2.90 Å) and three longer (3.06 Å) Ag–Ag bond lengths. All Ag–In bond lengths are 3.01 Å. In the third Ag site, Ag is bonded in a 3-coordinate geometry to nine Ag and three equivalent In atoms. There are three shorter (2.99 Å) and three longer (3.09 Å) Ag–Ag bond lengths. All Ag–In bond lengths are 2.85 Å. In the fourth Ag site, Ag is bonded in a 4-coordinate geometry to seven Ag and six In atoms. There are one shorter (2.88 Å) and four longer (3.24 Å) Ag–Ag bond lengths. There are a spread of Ag–In bond distances ranging from 2.92–3.24 Å. In the fifth Ag site, Ag is bonded in a 11-coordinate geometry to six Ag and five In atoms. There are one shorter (2.84 Å) and one longer (3.12 Å) Ag–Ag bond lengths. There are a spread of Ag–In bond distances ranging from 2.93–3.00 Å. In the sixth Ag site, Ag is bonded in a 9-coordinate geometry to nine Ag and four equivalent In atoms. The Ag–Ag bond length is 2.90 Å. All Ag–In bond lengths are 3.17 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 11-coordinate geometry to eleven Ag atoms. In the second In site, In is bonded in a 9-coordinate geometry to nine Ag atoms.},

  doi          = {10.17188/1197272},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1197272

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