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Title: Materials Data on Cs2TmH4 by Materials Project

Abstract

Cs2TmH4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs is bonded in a 9-coordinate geometry to nine H atoms. There are a spread of Cs–H bond distances ranging from 3.13–3.40 Å. Tm is bonded to six H atoms to form corner-sharing TmH6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.18 Å) and four longer (2.20 Å) Tm–H bond lengths. There are two inequivalent H sites. In the first H site, H is bonded in a linear geometry to four equivalent Cs and two equivalent Tm atoms. In the second H site, H is bonded in a distorted single-bond geometry to five equivalent Cs and one Tm atom.

Authors:
Publication Date:
Other Number(s):
mp-1025334
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; Cs2TmH4; Cs-H-Tm
OSTI Identifier:
1355222
DOI:
https://doi.org/10.17188/1355222

Citation Formats

The Materials Project. Materials Data on Cs2TmH4 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1355222.
The Materials Project. Materials Data on Cs2TmH4 by Materials Project. United States. doi:https://doi.org/10.17188/1355222
The Materials Project. 2017. "Materials Data on Cs2TmH4 by Materials Project". United States. doi:https://doi.org/10.17188/1355222. https://www.osti.gov/servlets/purl/1355222. Pub date:Tue May 09 00:00:00 EDT 2017
@article{osti_1355222,
title = {Materials Data on Cs2TmH4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2TmH4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs is bonded in a 9-coordinate geometry to nine H atoms. There are a spread of Cs–H bond distances ranging from 3.13–3.40 Å. Tm is bonded to six H atoms to form corner-sharing TmH6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.18 Å) and four longer (2.20 Å) Tm–H bond lengths. There are two inequivalent H sites. In the first H site, H is bonded in a linear geometry to four equivalent Cs and two equivalent Tm atoms. In the second H site, H is bonded in a distorted single-bond geometry to five equivalent Cs and one Tm atom.},
doi = {10.17188/1355222},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}