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Title: Materials Data on Ho3SbO7 by Materials Project

Abstract

Ho3SbO7 crystallizes in the orthorhombic C222_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 corners with two equivalent SbO6 octahedra, a cornercorner with one HoO7 pentagonal bipyramid, edges with two equivalent SbO6 octahedra, and edges with three equivalent HoO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 45–48°. There are a spread of Ho–O bond distances ranging from 2.21–2.45 Å. In the second Ho3+ site, Ho3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.32–2.76 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent HoO7 pentagonal bipyramids, and edges with four equivalent HoO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 44°. There are a spread of Sb–O bond distances ranging from 1.98–2.02 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ho3+ atoms to form a mixture of corner and edge-sharing OHo4 tetrahedra. In the second O2-more » site, O2- is bonded in a 4-coordinate geometry to two equivalent Ho3+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded to three Ho3+ and one Sb5+ atom to form a mixture of distorted corner and edge-sharing OHo3Sb tetrahedra. In the fourth O2- site, O2- is bonded to four Ho3+ atoms to form a mixture of corner and edge-sharing OHo4 tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Ho3+ and one Sb5+ atom.« less

Publication Date:
Other Number(s):
mp-1212301
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; Ho3SbO7; Ho-O-Sb
OSTI Identifier:
1677040
DOI:
https://doi.org/10.17188/1677040

Citation Formats

The Materials Project. Materials Data on Ho3SbO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677040.
The Materials Project. Materials Data on Ho3SbO7 by Materials Project. United States. doi:https://doi.org/10.17188/1677040
The Materials Project. 2020. "Materials Data on Ho3SbO7 by Materials Project". United States. doi:https://doi.org/10.17188/1677040. https://www.osti.gov/servlets/purl/1677040. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1677040,
title = {Materials Data on Ho3SbO7 by Materials Project},
author = {The Materials Project},
abstractNote = {Ho3SbO7 crystallizes in the orthorhombic C222_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 corners with two equivalent SbO6 octahedra, a cornercorner with one HoO7 pentagonal bipyramid, edges with two equivalent SbO6 octahedra, and edges with three equivalent HoO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 45–48°. There are a spread of Ho–O bond distances ranging from 2.21–2.45 Å. In the second Ho3+ site, Ho3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.32–2.76 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent HoO7 pentagonal bipyramids, and edges with four equivalent HoO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 44°. There are a spread of Sb–O bond distances ranging from 1.98–2.02 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ho3+ atoms to form a mixture of corner and edge-sharing OHo4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ho3+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded to three Ho3+ and one Sb5+ atom to form a mixture of distorted corner and edge-sharing OHo3Sb tetrahedra. In the fourth O2- site, O2- is bonded to four Ho3+ atoms to form a mixture of corner and edge-sharing OHo4 tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Ho3+ and one Sb5+ atom.},
doi = {10.17188/1677040},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}