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Title: Materials Data on Ho2(SO4)3 by Materials Project

Abstract

Ho2(SO4)3 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Ho3+ is bonded to six O2- atoms to form HoO6 octahedra that share corners with six SO4 tetrahedra. There are a spread of Ho–O bond distances ranging from 2.22–2.25 Å. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent HoO6 octahedra. The corner-sharing octahedra tilt angles range from 15–26°. All S–O bond lengths are 1.48 Å. In the second S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent HoO6 octahedra. The corner-sharing octahedra tilt angles range from 3–35°. All S–O bond lengths are 1.48 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Ho3+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Ho3+ and one S6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Ho3+ and one S6+ atom. In the fourth O2- site, O2- is bondedmore » in a bent 150 degrees geometry to one Ho3+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ho3+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ho3+ and one S6+ atom.« less

Publication Date:
Other Number(s):
mp-768800
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; Ho2(SO4)3; Ho-O-S
OSTI Identifier:
1298518
DOI:
10.17188/1298518

Citation Formats

The Materials Project. Materials Data on Ho2(SO4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298518.
The Materials Project. Materials Data on Ho2(SO4)3 by Materials Project. United States. doi:10.17188/1298518.
The Materials Project. 2020. "Materials Data on Ho2(SO4)3 by Materials Project". United States. doi:10.17188/1298518. https://www.osti.gov/servlets/purl/1298518. Pub date:Fri May 29 00:00:00 EDT 2020
@article{osti_1298518,
title = {Materials Data on Ho2(SO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ho2(SO4)3 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Ho3+ is bonded to six O2- atoms to form HoO6 octahedra that share corners with six SO4 tetrahedra. There are a spread of Ho–O bond distances ranging from 2.22–2.25 Å. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent HoO6 octahedra. The corner-sharing octahedra tilt angles range from 15–26°. All S–O bond lengths are 1.48 Å. In the second S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent HoO6 octahedra. The corner-sharing octahedra tilt angles range from 3–35°. All S–O bond lengths are 1.48 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Ho3+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Ho3+ and one S6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Ho3+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ho3+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ho3+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ho3+ and one S6+ atom.},
doi = {10.17188/1298518},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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