Materials Data on RbHfAgTe3 by Materials Project

doi:10.17188/1315809

Title: Materials Data on RbHfAgTe3 by Materials Project

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Abstract

RbHfAgTe3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.70–4.31 Å. Hf4+ is bonded to six Te2- atoms to form edge-sharing HfTe6 octahedra. There are a spread of Hf–Te bond distances ranging from 2.83–2.99 Å. Ag1+ is bonded in a 4-coordinate geometry to two equivalent Ag1+ and four Te2- atoms. Both Ag–Ag bond lengths are 3.01 Å. There are a spread of Ag–Te bond distances ranging from 2.79–2.95 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to three equivalent Rb1+, one Hf4+, and three equivalent Ag1+ atoms. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to three equivalent Rb1+, two equivalent Hf4+, and one Ag1+ atom. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three equivalent Hf4+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-9780

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; RbHfAgTe3; Ag-Hf-Rb-Te

OSTI Identifier:: 1315809

DOI:: https://doi.org/10.17188/1315809

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                    The Materials Project. Materials Data on RbHfAgTe3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1315809.

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                    The Materials Project. Materials Data on RbHfAgTe3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1315809

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                    The Materials Project. 2020.  
"Materials Data on RbHfAgTe3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1315809.  https://www.osti.gov/servlets/purl/1315809. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1315809,

  title        = {Materials Data on RbHfAgTe3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbHfAgTe3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.70–4.31 Å. Hf4+ is bonded to six Te2- atoms to form edge-sharing HfTe6 octahedra. There are a spread of Hf–Te bond distances ranging from 2.83–2.99 Å. Ag1+ is bonded in a 4-coordinate geometry to two equivalent Ag1+ and four Te2- atoms. Both Ag–Ag bond lengths are 3.01 Å. There are a spread of Ag–Te bond distances ranging from 2.79–2.95 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to three equivalent Rb1+, one Hf4+, and three equivalent Ag1+ atoms. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to three equivalent Rb1+, two equivalent Hf4+, and one Ag1+ atom. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three equivalent Hf4+ atoms.},

  doi          = {10.17188/1315809},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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