Materials Data on Ag3Pb by Materials Project

doi:10.17188/1729056

Title: Materials Data on Ag3Pb by Materials Project

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Abstract

Ag3Pb crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Ag sites. In the first Ag site, Ag is bonded to twelve Ag atoms to form AgAg12 cuboctahedra that share corners with six equivalent AgAg12 cuboctahedra, corners with twelve equivalent PbAg6Pb6 cuboctahedra, edges with eighteen AgAg12 cuboctahedra, faces with two equivalent PbAg6Pb6 cuboctahedra, and faces with eighteen AgAg12 cuboctahedra. There are six shorter (2.89 Å) and six longer (3.25 Å) Ag–Ag bond lengths. In the second Ag site, Ag is bonded to nine Ag and three equivalent Pb atoms to form distorted AgAg9Pb3 cuboctahedra that share corners with eighteen equivalent AgAg9Pb3 cuboctahedra, edges with six equivalent PbAg6Pb6 cuboctahedra, edges with twelve AgAg12 cuboctahedra, faces with six equivalent PbAg6Pb6 cuboctahedra, and faces with fourteen AgAg12 cuboctahedra. All Ag–Ag bond lengths are 3.25 Å. All Ag–Pb bond lengths are 3.16 Å. Pb is bonded to six equivalent Ag and six equivalent Pb atoms to form distorted PbAg6Pb6 cuboctahedra that share corners with six equivalent PbAg6Pb6 cuboctahedra, corners with twelve equivalent AgAg12 cuboctahedra, edges with six equivalent PbAg6Pb6 cuboctahedra, edges with twelve equivalent AgAg9Pb3 cuboctahedra, faces with six equivalent PbAg6Pb6 cuboctahedra, and faces with fourteen AgAg12 cuboctahedra.more » All Pb–Pb bond lengths are 3.25 Å.« less

Authors:: The Materials Project

Publication Date:: Sun Jan 13 00:00:00 EST 2019

Other Number(s):: mp-1229123

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; Ag3Pb; Ag-Pb

OSTI Identifier:: 1729056

DOI:: https://doi.org/10.17188/1729056

Citation Formats


                    The Materials Project. Materials Data on Ag3Pb by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1729056.

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                    The Materials Project. Materials Data on Ag3Pb by Materials Project.  United States.  doi:https://doi.org/10.17188/1729056

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                    The Materials Project. 2019.  
"Materials Data on Ag3Pb by Materials Project".  United States.  doi:https://doi.org/10.17188/1729056.  https://www.osti.gov/servlets/purl/1729056. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1729056,

  title        = {Materials Data on Ag3Pb by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag3Pb crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Ag sites. In the first Ag site, Ag is bonded to twelve Ag atoms to form AgAg12 cuboctahedra that share corners with six equivalent AgAg12 cuboctahedra, corners with twelve equivalent PbAg6Pb6 cuboctahedra, edges with eighteen AgAg12 cuboctahedra, faces with two equivalent PbAg6Pb6 cuboctahedra, and faces with eighteen AgAg12 cuboctahedra. There are six shorter (2.89 Å) and six longer (3.25 Å) Ag–Ag bond lengths. In the second Ag site, Ag is bonded to nine Ag and three equivalent Pb atoms to form distorted AgAg9Pb3 cuboctahedra that share corners with eighteen equivalent AgAg9Pb3 cuboctahedra, edges with six equivalent PbAg6Pb6 cuboctahedra, edges with twelve AgAg12 cuboctahedra, faces with six equivalent PbAg6Pb6 cuboctahedra, and faces with fourteen AgAg12 cuboctahedra. All Ag–Ag bond lengths are 3.25 Å. All Ag–Pb bond lengths are 3.16 Å. Pb is bonded to six equivalent Ag and six equivalent Pb atoms to form distorted PbAg6Pb6 cuboctahedra that share corners with six equivalent PbAg6Pb6 cuboctahedra, corners with twelve equivalent AgAg12 cuboctahedra, edges with six equivalent PbAg6Pb6 cuboctahedra, edges with twelve equivalent AgAg9Pb3 cuboctahedra, faces with six equivalent PbAg6Pb6 cuboctahedra, and faces with fourteen AgAg12 cuboctahedra. All Pb–Pb bond lengths are 3.25 Å.},

  doi          = {10.17188/1729056},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun Jan 13 00:00:00 EST 2019},

  month        = {Sun Jan 13 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1729056

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