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Title: Materials Data on Ho2CuO4 by Materials Project

Abstract

Ho2CuO4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.24 Å) and four longer (2.62 Å) Ho–O bond lengths. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.93 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ho3+ and two equivalent Cu2+ atoms to form distorted OHo4Cu2 octahedra that share corners with two equivalent OHo4Cu2 octahedra, corners with twelve equivalent OHo4 tetrahedra, edges with two equivalent OHo4Cu2 octahedra, edges with two equivalent OHo4 tetrahedra, and faces with four equivalent OHo4Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to four equivalent Ho3+ atoms to form OHo4 tetrahedra that share corners with twelve equivalent OHo4Cu2 octahedra, corners with four equivalent OHo4 tetrahedra, edges with two equivalent OHo4Cu2 octahedra, and edges with four equivalent OHo4 tetrahedra. The corner-sharing octahedra tilt angles range from 12–70°.

Authors:
Publication Date:
Other Number(s):
mp-754327
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; Ho2CuO4; Cu-Ho-O
OSTI Identifier:
1289343
DOI:
https://doi.org/10.17188/1289343

Citation Formats

The Materials Project. Materials Data on Ho2CuO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289343.
The Materials Project. Materials Data on Ho2CuO4 by Materials Project. United States. doi:https://doi.org/10.17188/1289343
The Materials Project. 2020. "Materials Data on Ho2CuO4 by Materials Project". United States. doi:https://doi.org/10.17188/1289343. https://www.osti.gov/servlets/purl/1289343. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1289343,
title = {Materials Data on Ho2CuO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ho2CuO4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.24 Å) and four longer (2.62 Å) Ho–O bond lengths. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.93 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ho3+ and two equivalent Cu2+ atoms to form distorted OHo4Cu2 octahedra that share corners with two equivalent OHo4Cu2 octahedra, corners with twelve equivalent OHo4 tetrahedra, edges with two equivalent OHo4Cu2 octahedra, edges with two equivalent OHo4 tetrahedra, and faces with four equivalent OHo4Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to four equivalent Ho3+ atoms to form OHo4 tetrahedra that share corners with twelve equivalent OHo4Cu2 octahedra, corners with four equivalent OHo4 tetrahedra, edges with two equivalent OHo4Cu2 octahedra, and edges with four equivalent OHo4 tetrahedra. The corner-sharing octahedra tilt angles range from 12–70°.},
doi = {10.17188/1289343},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}