Materials Data on Tl2GePbS4 by Materials Project

doi:10.17188/1281225

Title: Materials Data on Tl2GePbS4 by Materials Project

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Abstract

Tl2PbGeS4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Tl–S bond distances ranging from 3.15–3.53 Å. In the second Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Tl–S bond distances ranging from 3.11–3.57 Å. Pb2+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Pb–S bond distances ranging from 2.85–3.30 Å. Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.20–2.27 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to three Tl1+, two equivalent Pb2+, and one Ge4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to five Tl1+ and one Ge4+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to three Tl1+, two equivalent Pb2+, and one Ge4+ atom. In the fourth S2- site, S2- is bonded in amore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-653561

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; Tl2GePbS4; Ge-Pb-S-Tl

OSTI Identifier:: 1281225

DOI:: https://doi.org/10.17188/1281225

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                    The Materials Project. Materials Data on Tl2GePbS4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281225.

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                    The Materials Project. Materials Data on Tl2GePbS4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1281225

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                    The Materials Project. 2020.  
"Materials Data on Tl2GePbS4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1281225.  https://www.osti.gov/servlets/purl/1281225. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1281225,

  title        = {Materials Data on Tl2GePbS4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tl2PbGeS4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Tl–S bond distances ranging from 3.15–3.53 Å. In the second Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Tl–S bond distances ranging from 3.11–3.57 Å. Pb2+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Pb–S bond distances ranging from 2.85–3.30 Å. Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.20–2.27 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to three Tl1+, two equivalent Pb2+, and one Ge4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to five Tl1+ and one Ge4+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to three Tl1+, two equivalent Pb2+, and one Ge4+ atom. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to one Tl1+, two equivalent Pb2+, and one Ge4+ atom.},

  doi          = {10.17188/1281225},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1281225

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