Materials Data on Al(PS3)2 by Materials Project

doi:10.17188/1681734

Title: Materials Data on Al(PS3)2 by Materials Project

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Abstract

Al(PS3)2 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of one Al(PS3)2 sheet oriented in the (0, 0, 1) direction. Al3+ is bonded in an octahedral geometry to six S2- atoms. There are a spread of Al–S bond distances ranging from 2.44–2.48 Å. P+4.50+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. All P–S bond lengths are 2.03 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to one Al3+ and one P+4.50+ atom. In the second S2- site, S2- is bonded in a water-like geometry to one Al3+ and one P+4.50+ atom. In the third S2- site, S2- is bonded in a water-like geometry to one Al3+ and one P+4.50+ atom.

Publication Date:: 2019-01-13

Other Number(s):: mp-1229103

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; Al(PS3)2; Al-P-S; crystal structure

OSTI Identifier:: 1681734

DOI:: https://doi.org/10.17188/1681734

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                    Materials Data on Al(PS3)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1681734.

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                    Materials Data on Al(PS3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1681734

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                    2019.  
"Materials Data on Al(PS3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1681734.  https://www.osti.gov/servlets/purl/1681734. Pub date:Sun Jan 13 04:00:00 UTC 2019

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@article{osti_1681734,

  title        = {Materials Data on Al(PS3)2 by Materials Project},

  
  abstractNote = {Al(PS3)2 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of one Al(PS3)2 sheet oriented in the (0, 0, 1) direction. Al3+ is bonded in an octahedral geometry to six S2- atoms. There are a spread of Al–S bond distances ranging from 2.44–2.48 Å. P+4.50+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. All P–S bond lengths are 2.03 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to one Al3+ and one P+4.50+ atom. In the second S2- site, S2- is bonded in a water-like geometry to one Al3+ and one P+4.50+ atom. In the third S2- site, S2- is bonded in a water-like geometry to one Al3+ and one P+4.50+ atom.},

  doi          = {10.17188/1681734},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1681734

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