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Title: Materials Data on SrHo2CuO5 by Materials Project

Abstract

SrHo2CuO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.47–3.10 Å. There are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to seven O2- atoms to form distorted HoO7 pentagonal bipyramids that share corners with five equivalent CuO5 square pyramids, edges with five HoO7 pentagonal bipyramids, an edgeedge with one CuO5 square pyramid, and a faceface with one HoO7 pentagonal bipyramid. There are a spread of Ho–O bond distances ranging from 2.27–2.36 Å. In the second Ho3+ site, Ho3+ is bonded to seven O2- atoms to form distorted HoO7 pentagonal bipyramids that share corners with four equivalent HoO7 pentagonal bipyramids, edges with three equivalent HoO7 pentagonal bipyramids, edges with two equivalent CuO5 square pyramids, a faceface with one HoO7 pentagonal bipyramid, and a faceface with one CuO5 square pyramid. There are a spread of Ho–O bond distances ranging from 2.31–2.35 Å. Cu2+ is bonded to five O2- atoms to form CuO5 square pyramids that share corners with five equivalent HoO7 pentagonal bipyramids, edges with three HoO7 pentagonal bipyramids, and a faceface withmore » one HoO7 pentagonal bipyramid. There are a spread of Cu–O bond distances ranging from 1.97–2.25 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, three Ho3+, and one Cu2+ atom. In the second O2- site, O2- is bonded to three equivalent Sr2+, two Ho3+, and one Cu2+ atom to form a mixture of distorted edge and corner-sharing OSr3Ho2Cu octahedra. The corner-sharing octahedral tilt angles are 3°. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+, three Ho3+, and one Cu2+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-17734
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; SrHo2CuO5; Cu-Ho-O-Sr
OSTI Identifier:
1192662
DOI:
https://doi.org/10.17188/1192662

Citation Formats

The Materials Project. Materials Data on SrHo2CuO5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1192662.
The Materials Project. Materials Data on SrHo2CuO5 by Materials Project. United States. doi:https://doi.org/10.17188/1192662
The Materials Project. 2019. "Materials Data on SrHo2CuO5 by Materials Project". United States. doi:https://doi.org/10.17188/1192662. https://www.osti.gov/servlets/purl/1192662. Pub date:Thu Jun 06 00:00:00 EDT 2019
@article{osti_1192662,
title = {Materials Data on SrHo2CuO5 by Materials Project},
author = {The Materials Project},
abstractNote = {SrHo2CuO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.47–3.10 Å. There are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to seven O2- atoms to form distorted HoO7 pentagonal bipyramids that share corners with five equivalent CuO5 square pyramids, edges with five HoO7 pentagonal bipyramids, an edgeedge with one CuO5 square pyramid, and a faceface with one HoO7 pentagonal bipyramid. There are a spread of Ho–O bond distances ranging from 2.27–2.36 Å. In the second Ho3+ site, Ho3+ is bonded to seven O2- atoms to form distorted HoO7 pentagonal bipyramids that share corners with four equivalent HoO7 pentagonal bipyramids, edges with three equivalent HoO7 pentagonal bipyramids, edges with two equivalent CuO5 square pyramids, a faceface with one HoO7 pentagonal bipyramid, and a faceface with one CuO5 square pyramid. There are a spread of Ho–O bond distances ranging from 2.31–2.35 Å. Cu2+ is bonded to five O2- atoms to form CuO5 square pyramids that share corners with five equivalent HoO7 pentagonal bipyramids, edges with three HoO7 pentagonal bipyramids, and a faceface with one HoO7 pentagonal bipyramid. There are a spread of Cu–O bond distances ranging from 1.97–2.25 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, three Ho3+, and one Cu2+ atom. In the second O2- site, O2- is bonded to three equivalent Sr2+, two Ho3+, and one Cu2+ atom to form a mixture of distorted edge and corner-sharing OSr3Ho2Cu octahedra. The corner-sharing octahedral tilt angles are 3°. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+, three Ho3+, and one Cu2+ atom.},
doi = {10.17188/1192662},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {6}
}