Materials Data on Sb2Pb2S5 by Materials Project

doi:10.17188/1262072

Title: Materials Data on Sb2Pb2S5 by Materials Project

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Abstract

Pb2Sb2S5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Pb–S bond distances ranging from 2.89–3.36 Å. In the second Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Pb–S bond distances ranging from 2.84–3.52 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded to five S2- atoms to form a mixture of distorted corner and edge-sharing SbS5 square pyramids. There are a spread of Sb–S bond distances ranging from 2.44–3.15 Å. In the second Sb3+ site, Sb3+ is bonded to five S2- atoms to form a mixture of corner and edge-sharing SbS5 square pyramids. There are a spread of Sb–S bond distances ranging from 2.46–2.87 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded to one Pb2+ and four Sb3+ atoms to form SSb4Pb square pyramids that share corners with two equivalent SSb2Pb3 square pyramids and edges with three SSb4Pb square pyramids. In the second S2- site, S2- ismore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-504814

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; Sb2Pb2S5; Pb-S-Sb

OSTI Identifier:: 1262072

DOI:: https://doi.org/10.17188/1262072

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                    The Materials Project. Materials Data on Sb2Pb2S5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262072.

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                    The Materials Project. Materials Data on Sb2Pb2S5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262072

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                    The Materials Project. 2020.  
"Materials Data on Sb2Pb2S5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262072.  https://www.osti.gov/servlets/purl/1262072. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1262072,

  title        = {Materials Data on Sb2Pb2S5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pb2Sb2S5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Pb–S bond distances ranging from 2.89–3.36 Å. In the second Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Pb–S bond distances ranging from 2.84–3.52 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded to five S2- atoms to form a mixture of distorted corner and edge-sharing SbS5 square pyramids. There are a spread of Sb–S bond distances ranging from 2.44–3.15 Å. In the second Sb3+ site, Sb3+ is bonded to five S2- atoms to form a mixture of corner and edge-sharing SbS5 square pyramids. There are a spread of Sb–S bond distances ranging from 2.46–2.87 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded to one Pb2+ and four Sb3+ atoms to form SSb4Pb square pyramids that share corners with two equivalent SSb2Pb3 square pyramids and edges with three SSb4Pb square pyramids. In the second S2- site, S2- is bonded in a 1-coordinate geometry to three Pb2+ and one Sb3+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to four Pb2+ and one Sb3+ atom. In the fourth S2- site, S2- is bonded in a distorted water-like geometry to three Pb2+ and two equivalent Sb3+ atoms. In the fifth S2- site, S2- is bonded to three equivalent Pb2+ and two equivalent Sb3+ atoms to form a mixture of corner and edge-sharing SSb2Pb3 square pyramids.},

  doi          = {10.17188/1262072},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1262072

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