Materials Data on AgBiTe3Pb by Materials Project

doi:10.17188/1681018

Title: Materials Data on AgBiTe3Pb by Materials Project

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Abstract

AgPbBiTe3 is alpha Po-derived structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Ag1+ is bonded to six Te2- atoms to form AgTe6 octahedra that share corners with two equivalent AgTe6 octahedra, corners with two equivalent PbTe6 octahedra, corners with two equivalent BiTe6 octahedra, edges with two equivalent AgTe6 octahedra, edges with five equivalent PbTe6 octahedra, and edges with five equivalent BiTe6 octahedra. The corner-sharing octahedra tilt angles range from 2–3°. There are a spread of Ag–Te bond distances ranging from 3.05–3.19 Å. Pb2+ is bonded to six Te2- atoms to form PbTe6 octahedra that share corners with two equivalent AgTe6 octahedra, corners with two equivalent PbTe6 octahedra, corners with two equivalent BiTe6 octahedra, edges with two equivalent PbTe6 octahedra, edges with five equivalent AgTe6 octahedra, and edges with five equivalent BiTe6 octahedra. The corner-sharing octahedra tilt angles range from 3–7°. There are a spread of Pb–Te bond distances ranging from 3.19–3.29 Å. Bi3+ is bonded to six Te2- atoms to form BiTe6 octahedra that share corners with two equivalent AgTe6 octahedra, corners with two equivalent PbTe6 octahedra, corners with two equivalent BiTe6 octahedra, edges with two equivalent BiTe6 octahedra, edges with five equivalent AgTe6 octahedra,more »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1229113

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; AgBiTe3Pb; Ag-Bi-Pb-Te

OSTI Identifier:: 1681018

DOI:: https://doi.org/10.17188/1681018

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                    The Materials Project. Materials Data on AgBiTe3Pb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1681018.

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                    The Materials Project. Materials Data on AgBiTe3Pb by Materials Project.  United States.  doi:https://doi.org/10.17188/1681018

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                    The Materials Project. 2020.  
"Materials Data on AgBiTe3Pb by Materials Project".  United States.  doi:https://doi.org/10.17188/1681018.  https://www.osti.gov/servlets/purl/1681018. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1681018,

  title        = {Materials Data on AgBiTe3Pb by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AgPbBiTe3 is alpha Po-derived structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Ag1+ is bonded to six Te2- atoms to form AgTe6 octahedra that share corners with two equivalent AgTe6 octahedra, corners with two equivalent PbTe6 octahedra, corners with two equivalent BiTe6 octahedra, edges with two equivalent AgTe6 octahedra, edges with five equivalent PbTe6 octahedra, and edges with five equivalent BiTe6 octahedra. The corner-sharing octahedra tilt angles range from 2–3°. There are a spread of Ag–Te bond distances ranging from 3.05–3.19 Å. Pb2+ is bonded to six Te2- atoms to form PbTe6 octahedra that share corners with two equivalent AgTe6 octahedra, corners with two equivalent PbTe6 octahedra, corners with two equivalent BiTe6 octahedra, edges with two equivalent PbTe6 octahedra, edges with five equivalent AgTe6 octahedra, and edges with five equivalent BiTe6 octahedra. The corner-sharing octahedra tilt angles range from 3–7°. There are a spread of Pb–Te bond distances ranging from 3.19–3.29 Å. Bi3+ is bonded to six Te2- atoms to form BiTe6 octahedra that share corners with two equivalent AgTe6 octahedra, corners with two equivalent PbTe6 octahedra, corners with two equivalent BiTe6 octahedra, edges with two equivalent BiTe6 octahedra, edges with five equivalent AgTe6 octahedra, and edges with five equivalent PbTe6 octahedra. The corner-sharing octahedra tilt angles range from 2–8°. There are a spread of Bi–Te bond distances ranging from 3.15–3.20 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent Ag1+, two equivalent Pb2+, and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing TeAg2Bi2Pb2 octahedra. The corner-sharing octahedra tilt angles range from 1–3°. In the second Te2- site, Te2- is bonded to two equivalent Ag1+, two equivalent Pb2+, and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing TeAg2Bi2Pb2 octahedra. The corner-sharing octahedra tilt angles range from 1–7°. In the third Te2- site, Te2- is bonded to two equivalent Ag1+, two equivalent Pb2+, and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing TeAg2Bi2Pb2 octahedra. The corner-sharing octahedra tilt angles range from 1–8°.},

  doi          = {10.17188/1681018},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1681018

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