Materials Data on Ni3Pb2SeS by Materials Project

doi:10.17188/1757803

Title: Materials Data on Ni3Pb2SeS by Materials Project

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Abstract

Ni3Pb2SeS crystallizes in the trigonal R3m space group. The structure is three-dimensional. Ni is bonded in a distorted linear geometry to four Pb, one Se, and one S atom. There are a spread of Ni–Pb bond distances ranging from 2.85–2.88 Å. The Ni–Se bond length is 2.31 Å. The Ni–S bond length is 2.16 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. In the second Pb site, Pb is bonded to six equivalent Ni, one Se, and one S atom to form distorted corner-sharing PbNi6SeS hexagonal bipyramids. The Pb–Se bond length is 3.17 Å. The Pb–S bond length is 3.22 Å. Se is bonded in a 3-coordinate geometry to three equivalent Ni and one Pb atom. S is bonded in a 3-coordinate geometry to three equivalent Ni and one Pb atom.

Authors:: The Materials Project

Publication Date:: Thu Sep 03 00:00:00 EDT 2020

Other Number(s):: mp-1220092

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; Ni3Pb2SeS; Ni-Pb-S-Se

OSTI Identifier:: 1757803

DOI:: https://doi.org/10.17188/1757803

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                    The Materials Project. Materials Data on Ni3Pb2SeS by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1757803.

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                    The Materials Project. Materials Data on Ni3Pb2SeS by Materials Project.  United States.  doi:https://doi.org/10.17188/1757803

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                    The Materials Project. 2020.  
"Materials Data on Ni3Pb2SeS by Materials Project".  United States.  doi:https://doi.org/10.17188/1757803.  https://www.osti.gov/servlets/purl/1757803. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1757803,

  title        = {Materials Data on Ni3Pb2SeS by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ni3Pb2SeS crystallizes in the trigonal R3m space group. The structure is three-dimensional. Ni is bonded in a distorted linear geometry to four Pb, one Se, and one S atom. There are a spread of Ni–Pb bond distances ranging from 2.85–2.88 Å. The Ni–Se bond length is 2.31 Å. The Ni–S bond length is 2.16 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. In the second Pb site, Pb is bonded to six equivalent Ni, one Se, and one S atom to form distorted corner-sharing PbNi6SeS hexagonal bipyramids. The Pb–Se bond length is 3.17 Å. The Pb–S bond length is 3.22 Å. Se is bonded in a 3-coordinate geometry to three equivalent Ni and one Pb atom. S is bonded in a 3-coordinate geometry to three equivalent Ni and one Pb atom.},

  doi          = {10.17188/1757803},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Sep 03 00:00:00 EDT 2020},

  month        = {Thu Sep 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1757803

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