Materials Data on Al2BiS4 by Materials Project

doi:10.17188/1269981

Title: Materials Data on Al2BiS4 by Materials Project

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Abstract

Al2BiS4 crystallizes in the tetragonal P4/nnc space group. The structure is three-dimensional. there are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four equivalent S2- atoms to form edge-sharing AlS4 tetrahedra. All Al–S bond lengths are 2.28 Å. In the second Al3+ site, Al3+ is bonded to four equivalent S2- atoms to form edge-sharing AlS4 tetrahedra. All Al–S bond lengths are 2.28 Å. Bi2+ is bonded in a rectangular see-saw-like geometry to four equivalent S2- atoms. All Bi–S bond lengths are 2.87 Å. S2- is bonded in a 3-coordinate geometry to two Al3+ and one Bi2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-557737

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; Al2BiS4; Al-Bi-S

OSTI Identifier:: 1269981

DOI:: https://doi.org/10.17188/1269981

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                    The Materials Project. Materials Data on Al2BiS4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269981.

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                    The Materials Project. Materials Data on Al2BiS4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269981

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                    The Materials Project. 2020.  
"Materials Data on Al2BiS4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269981.  https://www.osti.gov/servlets/purl/1269981. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1269981,

  title        = {Materials Data on Al2BiS4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Al2BiS4 crystallizes in the tetragonal P4/nnc space group. The structure is three-dimensional. there are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four equivalent S2- atoms to form edge-sharing AlS4 tetrahedra. All Al–S bond lengths are 2.28 Å. In the second Al3+ site, Al3+ is bonded to four equivalent S2- atoms to form edge-sharing AlS4 tetrahedra. All Al–S bond lengths are 2.28 Å. Bi2+ is bonded in a rectangular see-saw-like geometry to four equivalent S2- atoms. All Bi–S bond lengths are 2.87 Å. S2- is bonded in a 3-coordinate geometry to two Al3+ and one Bi2+ atom.},

  doi          = {10.17188/1269981},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1269981

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