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Title: Materials Data on SrHo2O4 by Materials Project

Abstract

SrHo2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.62–2.90 Å. There are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing HoO6 octahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Ho–O bond distances ranging from 2.21–2.36 Å. In the second Ho3+ site, Ho3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing HoO6 octahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Ho–O bond distances ranging from 2.25–2.33 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Ho3+ atoms to form a mixture of distorted corner and edge-sharing OSr2Ho3 trigonal bipyramids. In the second O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Ho3+ atoms to form a mixture of corner and edge-sharing OSr2Ho3 square pyramids. In the third O2- site, O2- is bonded in a 5-coordinate geometrymore » to two equivalent Sr2+ and three Ho3+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Ho3+ atoms.« less

Publication Date:
Other Number(s):
mp-559385
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; SrHo2O4; Ho-O-Sr
OSTI Identifier:
1270836
DOI:
10.17188/1270836

Citation Formats

The Materials Project. Materials Data on SrHo2O4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270836.
The Materials Project. Materials Data on SrHo2O4 by Materials Project. United States. doi:10.17188/1270836.
The Materials Project. 2020. "Materials Data on SrHo2O4 by Materials Project". United States. doi:10.17188/1270836. https://www.osti.gov/servlets/purl/1270836. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1270836,
title = {Materials Data on SrHo2O4 by Materials Project},
author = {The Materials Project},
abstractNote = {SrHo2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.62–2.90 Å. There are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing HoO6 octahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Ho–O bond distances ranging from 2.21–2.36 Å. In the second Ho3+ site, Ho3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing HoO6 octahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Ho–O bond distances ranging from 2.25–2.33 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Ho3+ atoms to form a mixture of distorted corner and edge-sharing OSr2Ho3 trigonal bipyramids. In the second O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Ho3+ atoms to form a mixture of corner and edge-sharing OSr2Ho3 square pyramids. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Ho3+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Ho3+ atoms.},
doi = {10.17188/1270836},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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