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Title: Materials Data on Ho2Hf2O7 by Materials Project

Abstract

Ho2Hf2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ho3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.27 Å) and six longer (2.51 Å) Ho–O bond lengths. Hf4+ is bonded to six equivalent O2- atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Hf–O bond lengths are 2.07 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ho3+ and two equivalent Hf4+ atoms to form a mixture of distorted corner and edge-sharing OHo2Hf2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Ho3+ atoms to form OHo4 tetrahedra that share corners with sixteen OHo4 tetrahedra and edges with six equivalent OHo2Hf2 tetrahedra.

Publication Date:
Other Number(s):
mp-554082
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; Ho2Hf2O7; Hf-Ho-O
OSTI Identifier:
1267728
DOI:
10.17188/1267728

Citation Formats

The Materials Project. Materials Data on Ho2Hf2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267728.
The Materials Project. Materials Data on Ho2Hf2O7 by Materials Project. United States. doi:10.17188/1267728.
The Materials Project. 2020. "Materials Data on Ho2Hf2O7 by Materials Project". United States. doi:10.17188/1267728. https://www.osti.gov/servlets/purl/1267728. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1267728,
title = {Materials Data on Ho2Hf2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Ho2Hf2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ho3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.27 Å) and six longer (2.51 Å) Ho–O bond lengths. Hf4+ is bonded to six equivalent O2- atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Hf–O bond lengths are 2.07 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ho3+ and two equivalent Hf4+ atoms to form a mixture of distorted corner and edge-sharing OHo2Hf2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Ho3+ atoms to form OHo4 tetrahedra that share corners with sixteen OHo4 tetrahedra and edges with six equivalent OHo2Hf2 tetrahedra.},
doi = {10.17188/1267728},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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