Materials Data on Cs3H5Pt by Materials Project

doi:10.17188/1280234

Title: Materials Data on Cs3H5Pt by Materials Project

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Abstract

Cs3PtH5 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a linear geometry to two equivalent H+0.20- atoms. Both Cs–H bond lengths are 3.10 Å. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight H+0.20- atoms. There are a spread of Cs–H bond distances ranging from 3.06–3.20 Å. Pt2- is bonded in a square co-planar geometry to four equivalent H+0.20- atoms. All Pt–H bond lengths are 1.66 Å. There are two inequivalent H+0.20- sites. In the first H+0.20- site, H+0.20- is bonded to six Cs1+ atoms to form corner-sharing HCs6 octahedra. The corner-sharing octahedra tilt angles range from 0–29°. In the second H+0.20- site, H+0.20- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cs1+ and one Pt2- atom.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-643005

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; Cs3H5Pt; Cs-H-Pt

OSTI Identifier:: 1280234

DOI:: https://doi.org/10.17188/1280234

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                    The Materials Project. Materials Data on Cs3H5Pt by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280234.

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                    The Materials Project. Materials Data on Cs3H5Pt by Materials Project.  United States.  doi:https://doi.org/10.17188/1280234

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                    The Materials Project. 2020.  
"Materials Data on Cs3H5Pt by Materials Project".  United States.  doi:https://doi.org/10.17188/1280234.  https://www.osti.gov/servlets/purl/1280234. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1280234,

  title        = {Materials Data on Cs3H5Pt by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs3PtH5 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a linear geometry to two equivalent H+0.20- atoms. Both Cs–H bond lengths are 3.10 Å. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight H+0.20- atoms. There are a spread of Cs–H bond distances ranging from 3.06–3.20 Å. Pt2- is bonded in a square co-planar geometry to four equivalent H+0.20- atoms. All Pt–H bond lengths are 1.66 Å. There are two inequivalent H+0.20- sites. In the first H+0.20- site, H+0.20- is bonded to six Cs1+ atoms to form corner-sharing HCs6 octahedra. The corner-sharing octahedra tilt angles range from 0–29°. In the second H+0.20- site, H+0.20- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cs1+ and one Pt2- atom.},

  doi          = {10.17188/1280234},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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