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Title: Materials Data on Cs2HfO3 by Materials Project

Abstract

Cs2HfO3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.12–3.51 Å. Hf4+ is bonded to five O2- atoms to form distorted edge-sharing HfO5 trigonal bipyramids. There are one shorter (1.92 Å) and four longer (2.09 Å) Hf–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to four equivalent Cs1+ and two equivalent Hf4+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to six equivalent Cs1+ and one Hf4+ atom.

Publication Date:
Other Number(s):
mp-1178405
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; Cs2HfO3; Cs-Hf-O
OSTI Identifier:
1686654
DOI:
https://doi.org/10.17188/1686654

Citation Formats

The Materials Project. Materials Data on Cs2HfO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1686654.
The Materials Project. Materials Data on Cs2HfO3 by Materials Project. United States. doi:https://doi.org/10.17188/1686654
The Materials Project. 2020. "Materials Data on Cs2HfO3 by Materials Project". United States. doi:https://doi.org/10.17188/1686654. https://www.osti.gov/servlets/purl/1686654. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1686654,
title = {Materials Data on Cs2HfO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2HfO3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.12–3.51 Å. Hf4+ is bonded to five O2- atoms to form distorted edge-sharing HfO5 trigonal bipyramids. There are one shorter (1.92 Å) and four longer (2.09 Å) Hf–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to four equivalent Cs1+ and two equivalent Hf4+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to six equivalent Cs1+ and one Hf4+ atom.},
doi = {10.17188/1686654},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}