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Title: Materials Data on Cs3H5Pt by Materials Project

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:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-643005
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Cs3H5Pt; Cs-H-Pt
OSTI Identifier:
1280234
DOI:
10.17188/1280234

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Cs3H5Pt by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280234.
Persson, Kristin, & Project, Materials. Materials Data on Cs3H5Pt by Materials Project. United States. doi:10.17188/1280234.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Cs3H5Pt by Materials Project". United States. doi:10.17188/1280234. https://www.osti.gov/servlets/purl/1280234. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1280234,
title = {Materials Data on Cs3H5Pt by Materials Project},
author = {Persson, Kristin and Project, Materials},
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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