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Title: Materials Data on Cs3CdH5 by Materials Project

Abstract

Cs3CdH5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight H1- atoms. There are a spread of Cs–H bond distances ranging from 3.14–3.37 Å. In the second Cs1+ site, Cs1+ is bonded in a linear geometry to two equivalent H1- atoms. Both Cs–H bond lengths are 3.19 Å. Cd2+ is bonded in a tetrahedral geometry to four equivalent H1- atoms. All Cd–H bond lengths are 1.85 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to six Cs1+ atoms to form corner-sharing HCs6 octahedra. The corner-sharing octahedra tilt angles range from 0–30°. In the second H1- site, H1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Cd2+ atom.

Publication Date:
Other Number(s):
mp-1184118
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; Cs3CdH5; Cd-Cs-H
OSTI Identifier:
1728982
DOI:
https://doi.org/10.17188/1728982

Citation Formats

The Materials Project. Materials Data on Cs3CdH5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1728982.
The Materials Project. Materials Data on Cs3CdH5 by Materials Project. United States. doi:https://doi.org/10.17188/1728982
The Materials Project. 2020. "Materials Data on Cs3CdH5 by Materials Project". United States. doi:https://doi.org/10.17188/1728982. https://www.osti.gov/servlets/purl/1728982. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1728982,
title = {Materials Data on Cs3CdH5 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs3CdH5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight H1- atoms. There are a spread of Cs–H bond distances ranging from 3.14–3.37 Å. In the second Cs1+ site, Cs1+ is bonded in a linear geometry to two equivalent H1- atoms. Both Cs–H bond lengths are 3.19 Å. Cd2+ is bonded in a tetrahedral geometry to four equivalent H1- atoms. All Cd–H bond lengths are 1.85 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to six Cs1+ atoms to form corner-sharing HCs6 octahedra. The corner-sharing octahedra tilt angles range from 0–30°. In the second H1- site, H1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Cd2+ atom.},
doi = {10.17188/1728982},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}