Materials Data on Th(PS3)2 by Materials Project

doi:10.17188/1190579

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

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Abstract

Th(PS3)2 crystallizes in the tetragonal P4_2/m space group. The structure is one-dimensional and consists of one Th(PS3)2 ribbon oriented in the (0, 0, 1) direction. Th4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (2.84 Å) and four longer (3.04 Å) Th–S bond lengths. P4+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.02 Å) and one longer (2.06 Å) P–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Th4+ and one P4+ atom. In the second S2- site, S2- is bonded in an L-shaped geometry to one Th4+ and one P4+ atom.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-14249

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; Th(PS3)2; P-S-Th

OSTI Identifier:: 1190579

DOI:: https://doi.org/10.17188/1190579

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                    The Materials Project. Materials Data on Th(PS3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1190579.

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                    The Materials Project. Materials Data on Th(PS3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1190579

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                    The Materials Project. 2020.  
"Materials Data on Th(PS3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1190579.  https://www.osti.gov/servlets/purl/1190579. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1190579,

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

  author       = {The Materials Project},

  abstractNote = {Th(PS3)2 crystallizes in the tetragonal P4_2/m space group. The structure is one-dimensional and consists of one Th(PS3)2 ribbon oriented in the (0, 0, 1) direction. Th4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (2.84 Å) and four longer (3.04 Å) Th–S bond lengths. P4+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.02 Å) and one longer (2.06 Å) P–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Th4+ and one P4+ atom. In the second S2- site, S2- is bonded in an L-shaped geometry to one Th4+ and one P4+ atom.},

  doi          = {10.17188/1190579},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1190579

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