Materials Data on Ge(PbS2)2 by Materials Project

doi:10.17188/1271432

Title: Materials Data on Ge(PbS2)2 by Materials Project

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Abstract

Pb2GeS4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Pb–S bond distances ranging from 2.82–3.55 Å. In the second Pb2+ site, Pb2+ is bonded to seven S2- atoms to form distorted PbS7 pentagonal bipyramids that share corners with four equivalent PbS7 pentagonal bipyramids, a cornercorner with one GeS4 tetrahedra, an edgeedge with one PbS7 pentagonal bipyramid, and edges with three equivalent GeS4 tetrahedra. There are a spread of Pb–S bond distances ranging from 2.85–3.49 Å. Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share a cornercorner with one PbS7 pentagonal bipyramid and edges with three equivalent PbS7 pentagonal bipyramids. There are a spread of Ge–S bond distances ranging from 2.22–2.25 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to four Pb2+ and one Ge4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to three Pb2+ and one Ge4+ atom. In the third S2- site, S2- is bonded in a 1-coordinatemore »« less

Publication Date:: Sat Jul 18 04:00:00 UTC 2020

Other Number(s):: mp-560370

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Ge(PbS2)2; Ge-Pb-S; crystal structure

OSTI Identifier:: 1271432

DOI:: https://doi.org/10.17188/1271432

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                    Materials Data on Ge(PbS2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1271432.

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                    Materials Data on Ge(PbS2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1271432

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                    2020.  
"Materials Data on Ge(PbS2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1271432.  https://www.osti.gov/servlets/purl/1271432. Pub date:Sat Jul 18 04:00:00 UTC 2020

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@article{osti_1271432,

  title        = {Materials Data on Ge(PbS2)2 by Materials Project},

  
  abstractNote = {Pb2GeS4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Pb–S bond distances ranging from 2.82–3.55 Å. In the second Pb2+ site, Pb2+ is bonded to seven S2- atoms to form distorted PbS7 pentagonal bipyramids that share corners with four equivalent PbS7 pentagonal bipyramids, a cornercorner with one GeS4 tetrahedra, an edgeedge with one PbS7 pentagonal bipyramid, and edges with three equivalent GeS4 tetrahedra. There are a spread of Pb–S bond distances ranging from 2.85–3.49 Å. Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share a cornercorner with one PbS7 pentagonal bipyramid and edges with three equivalent PbS7 pentagonal bipyramids. There are a spread of Ge–S bond distances ranging from 2.22–2.25 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to four Pb2+ and one Ge4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to three Pb2+ and one Ge4+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to three Pb2+ and one Ge4+ atom. In the fourth S2- site, S2- is bonded in a distorted single-bond geometry to three Pb2+ and one Ge4+ atom.},

  doi          = {10.17188/1271432},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 04:00:00 UTC 2020},

  month        = {Sat Jul 18 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1271432

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Materials Data on Ge(PbS2)2 by Materials Project

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