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Title: Materials Data on Ho3ReO8 by Materials Project

Abstract

Ho3ReO8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.19–2.56 Å. In the second Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.31–2.57 Å. In the third Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.22–2.61 Å. Re7+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Re–O bond distances ranging from 1.82–1.99 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Ho3+ and one Re7+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Ho3+ and one Re7+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Ho3+ and one Re7+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinatemore » geometry to three Ho3+ and one Re7+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Ho3+ and one Re7+ atom. In the sixth O2- site, O2- is bonded to four Ho3+ atoms to form a mixture of distorted edge and corner-sharing OHo4 tetrahedra. In the seventh O2- site, O2- is bonded to four Ho3+ atoms to form a mixture of distorted edge and corner-sharing OHo4 trigonal pyramids. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three Ho3+ and one Re7+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-769345
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; Ho3ReO8; Ho-O-Re
OSTI Identifier:
1298721
DOI:
10.17188/1298721

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ho3ReO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298721.
Persson, Kristin, & Project, Materials. Materials Data on Ho3ReO8 by Materials Project. United States. doi:10.17188/1298721.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ho3ReO8 by Materials Project". United States. doi:10.17188/1298721. https://www.osti.gov/servlets/purl/1298721. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1298721,
title = {Materials Data on Ho3ReO8 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ho3ReO8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.19–2.56 Å. In the second Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.31–2.57 Å. In the third Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.22–2.61 Å. Re7+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Re–O bond distances ranging from 1.82–1.99 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Ho3+ and one Re7+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Ho3+ and one Re7+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Ho3+ and one Re7+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Ho3+ and one Re7+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Ho3+ and one Re7+ atom. In the sixth O2- site, O2- is bonded to four Ho3+ atoms to form a mixture of distorted edge and corner-sharing OHo4 tetrahedra. In the seventh O2- site, O2- is bonded to four Ho3+ atoms to form a mixture of distorted edge and corner-sharing OHo4 trigonal pyramids. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three Ho3+ and one Re7+ atom.},
doi = {10.17188/1298721},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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