Materials Data on K2PtS15 by Materials Project

doi:10.17188/1281175

Title: Materials Data on K2PtS15 by Materials Project

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Abstract

K2PtS15 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six S+0.40- atoms. There are a spread of K–S bond distances ranging from 3.31–3.70 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to nine S+0.40- atoms. There are a spread of K–S bond distances ranging from 3.22–3.90 Å. Pt4+ is bonded in an octahedral geometry to six S+0.40- atoms. There are a spread of Pt–S bond distances ranging from 2.42–2.44 Å. There are fifteen inequivalent S+0.40- sites. In the first S+0.40- site, S+0.40- is bonded in a distorted water-like geometry to one K1+, one Pt4+, and one S+0.40- atom. The S–S bond length is 2.03 Å. In the second S+0.40- site, S+0.40- is bonded in a 2-coordinate geometry to one K1+ and two S+0.40- atoms. There are one shorter (2.03 Å) and one longer (2.11 Å) S–S bond lengths. In the third S+0.40- site, S+0.40- is bonded in a 3-coordinate geometry to one K1+ and two S+0.40- atoms. The S–S bond length is 2.11 Å. In the fourth S+0.40- site, S+0.40- is bonded inmore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-652663

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; K2PtS15; K-Pt-S

OSTI Identifier:: 1281175

DOI:: https://doi.org/10.17188/1281175

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                    The Materials Project. Materials Data on K2PtS15 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281175.

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                    The Materials Project. Materials Data on K2PtS15 by Materials Project.  United States.  doi:https://doi.org/10.17188/1281175

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                    The Materials Project. 2020.  
"Materials Data on K2PtS15 by Materials Project".  United States.  doi:https://doi.org/10.17188/1281175.  https://www.osti.gov/servlets/purl/1281175. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1281175,

  title        = {Materials Data on K2PtS15 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2PtS15 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six S+0.40- atoms. There are a spread of K–S bond distances ranging from 3.31–3.70 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to nine S+0.40- atoms. There are a spread of K–S bond distances ranging from 3.22–3.90 Å. Pt4+ is bonded in an octahedral geometry to six S+0.40- atoms. There are a spread of Pt–S bond distances ranging from 2.42–2.44 Å. There are fifteen inequivalent S+0.40- sites. In the first S+0.40- site, S+0.40- is bonded in a distorted water-like geometry to one K1+, one Pt4+, and one S+0.40- atom. The S–S bond length is 2.03 Å. In the second S+0.40- site, S+0.40- is bonded in a 2-coordinate geometry to one K1+ and two S+0.40- atoms. There are one shorter (2.03 Å) and one longer (2.11 Å) S–S bond lengths. In the third S+0.40- site, S+0.40- is bonded in a 3-coordinate geometry to one K1+ and two S+0.40- atoms. The S–S bond length is 2.11 Å. In the fourth S+0.40- site, S+0.40- is bonded in a distorted trigonal non-coplanar geometry to one K1+, one Pt4+, and one S+0.40- atom. In the fifth S+0.40- site, S+0.40- is bonded in a 4-coordinate geometry to two equivalent K1+ and two S+0.40- atoms. In the sixth S+0.40- site, S+0.40- is bonded in a trigonal non-coplanar geometry to one K1+ and two S+0.40- atoms. There are one shorter (2.04 Å) and one longer (2.10 Å) S–S bond lengths. In the seventh S+0.40- site, S+0.40- is bonded in a 3-coordinate geometry to one K1+ and two S+0.40- atoms. The S–S bond length is 2.08 Å. In the eighth S+0.40- site, S+0.40- is bonded in a 3-coordinate geometry to one K1+ and two S+0.40- atoms. Both S–S bond lengths are 2.09 Å. In the ninth S+0.40- site, S+0.40- is bonded in a distorted trigonal planar geometry to one K1+ and two S+0.40- atoms. The S–S bond length is 2.04 Å. In the tenth S+0.40- site, S+0.40- is bonded in a distorted trigonal non-coplanar geometry to one K1+, one Pt4+, and one S+0.40- atom. In the eleventh S+0.40- site, S+0.40- is bonded in a 3-coordinate geometry to one K1+, one Pt4+, and one S+0.40- atom. In the twelfth S+0.40- site, S+0.40- is bonded in a distorted water-like geometry to two S+0.40- atoms. The S–S bond length is 2.03 Å. In the thirteenth S+0.40- site, S+0.40- is bonded in a distorted trigonal planar geometry to one K1+, one Pt4+, and one S+0.40- atom. In the fourteenth S+0.40- site, S+0.40- is bonded in a 3-coordinate geometry to two equivalent K1+, one Pt4+, and one S+0.40- atom. The S–S bond length is 2.03 Å. In the fifteenth S+0.40- site, S+0.40- is bonded in a distorted water-like geometry to two S+0.40- atoms.},

  doi          = {10.17188/1281175},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1281175

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