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Title: Materials Data on Ho3GaO6 by Materials Project

Abstract

Ho3GaO6 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. 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 a cornercorner with one GaO4 tetrahedra, edges with two equivalent HoO7 pentagonal bipyramids, and an edgeedge with one GaO4 tetrahedra. There are a spread of Ho–O bond distances ranging from 2.26–2.43 Å. In the second Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ho–O bond distances ranging from 2.20–2.56 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share a cornercorner with one HoO7 pentagonal bipyramid and an edgeedge with one HoO7 pentagonal bipyramid. There is one shorter (1.85 Å) and three longer (1.89 Å) Ga–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Ho3+ and one Ga3+ atom to form distorted OHo3Ga tetrahedra that share corners with eight equivalent OHo4 tetrahedra, corners with four equivalent OHo3Ga trigonal pyramids, and edges with two equivalent OHo3Ga trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinatemore » geometry to four equivalent Ho3+ and one Ga3+ atom. In the third O2- site, O2- is bonded to four Ho3+ atoms to form OHo4 tetrahedra that share corners with six OHo3Ga tetrahedra, corners with six equivalent OHo3Ga trigonal pyramids, edges with three equivalent OHo4 tetrahedra, and an edgeedge with one OHo3Ga trigonal pyramid. In the fourth O2- site, O2- is bonded to three Ho3+ and one Ga3+ atom to form a mixture of distorted edge and corner-sharing OHo3Ga trigonal pyramids.« less

Publication Date:
Other Number(s):
mp-31114
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; Ho3GaO6; Ga-Ho-O
OSTI Identifier:
1205437
DOI:
10.17188/1205437

Citation Formats

The Materials Project. Materials Data on Ho3GaO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205437.
The Materials Project. Materials Data on Ho3GaO6 by Materials Project. United States. doi:10.17188/1205437.
The Materials Project. 2020. "Materials Data on Ho3GaO6 by Materials Project". United States. doi:10.17188/1205437. https://www.osti.gov/servlets/purl/1205437. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1205437,
title = {Materials Data on Ho3GaO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ho3GaO6 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. 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 a cornercorner with one GaO4 tetrahedra, edges with two equivalent HoO7 pentagonal bipyramids, and an edgeedge with one GaO4 tetrahedra. There are a spread of Ho–O bond distances ranging from 2.26–2.43 Å. In the second Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ho–O bond distances ranging from 2.20–2.56 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share a cornercorner with one HoO7 pentagonal bipyramid and an edgeedge with one HoO7 pentagonal bipyramid. There is one shorter (1.85 Å) and three longer (1.89 Å) Ga–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Ho3+ and one Ga3+ atom to form distorted OHo3Ga tetrahedra that share corners with eight equivalent OHo4 tetrahedra, corners with four equivalent OHo3Ga trigonal pyramids, and edges with two equivalent OHo3Ga trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Ho3+ and one Ga3+ atom. In the third O2- site, O2- is bonded to four Ho3+ atoms to form OHo4 tetrahedra that share corners with six OHo3Ga tetrahedra, corners with six equivalent OHo3Ga trigonal pyramids, edges with three equivalent OHo4 tetrahedra, and an edgeedge with one OHo3Ga trigonal pyramid. In the fourth O2- site, O2- is bonded to three Ho3+ and one Ga3+ atom to form a mixture of distorted edge and corner-sharing OHo3Ga trigonal pyramids.},
doi = {10.17188/1205437},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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