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Title: Materials Data on SrYb2O4 by Materials Project

Abstract

SrYb2O4 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 2.58–2.76 Å. There are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YbO6 octahedra. The corner-sharing octahedra tilt angles range from 49–70°. There are a spread of Yb–O bond distances ranging from 2.24–2.38 Å. In the second Yb3+ site, Yb3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing YbO6 octahedra. The corner-sharing octahedra tilt angles range from 49–70°. There are a spread of Yb–O bond distances ranging from 2.26–2.37 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Yb3+ atoms to form a mixture of distorted edge and corner-sharing OSr2Yb3 trigonal bipyramids. In the second O2- site, O2- is bonded to two equivalent Sr2+ and three Yb3+ atoms to form a mixture of distorted edge and corner-sharing OSr2Yb3 trigonal bipyramids. In the third O2- site, O2- is bonded to two equivalentmore » Sr2+ and three equivalent Yb3+ atoms to form a mixture of edge and corner-sharing OSr2Yb3 square pyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Yb3+ atoms.« less

Publication Date:
Other Number(s):
mp-20248
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; SrYb2O4; O-Sr-Yb
OSTI Identifier:
1195380
DOI:
https://doi.org/10.17188/1195380

Citation Formats

The Materials Project. Materials Data on SrYb2O4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195380.
The Materials Project. Materials Data on SrYb2O4 by Materials Project. United States. doi:https://doi.org/10.17188/1195380
The Materials Project. 2020. "Materials Data on SrYb2O4 by Materials Project". United States. doi:https://doi.org/10.17188/1195380. https://www.osti.gov/servlets/purl/1195380. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1195380,
title = {Materials Data on SrYb2O4 by Materials Project},
author = {The Materials Project},
abstractNote = {SrYb2O4 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 2.58–2.76 Å. There are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YbO6 octahedra. The corner-sharing octahedra tilt angles range from 49–70°. There are a spread of Yb–O bond distances ranging from 2.24–2.38 Å. In the second Yb3+ site, Yb3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing YbO6 octahedra. The corner-sharing octahedra tilt angles range from 49–70°. There are a spread of Yb–O bond distances ranging from 2.26–2.37 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Yb3+ atoms to form a mixture of distorted edge and corner-sharing OSr2Yb3 trigonal bipyramids. In the second O2- site, O2- is bonded to two equivalent Sr2+ and three Yb3+ atoms to form a mixture of distorted edge and corner-sharing OSr2Yb3 trigonal bipyramids. In the third O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Yb3+ atoms to form a mixture of edge and corner-sharing OSr2Yb3 square pyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Yb3+ atoms.},
doi = {10.17188/1195380},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}