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Title: Materials Data on EuY2O4 by Materials Project

Abstract

EuY2O4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.58–2.93 Å. In the second Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.59–2.84 Å. In the third Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.59–2.86 Å. In the fourth Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.58–2.89 Å. There are eight inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–64°. There are a spread of Y–O bond distances ranging from 2.25–2.35 Å. In the second Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra.more » The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Y–O bond distances ranging from 2.22–2.39 Å. In the third Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–64°. There are a spread of Y–O bond distances ranging from 2.22–2.39 Å. In the fourth Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Y–O bond distances ranging from 2.25–2.35 Å. In the fifth Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–64°. There are a spread of Y–O bond distances ranging from 2.25–2.36 Å. In the sixth Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–64°. There are a spread of Y–O bond distances ranging from 2.22–2.38 Å. In the seventh Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–64°. There are a spread of Y–O bond distances ranging from 2.22–2.39 Å. In the eighth Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–64°. There are a spread of Y–O bond distances ranging from 2.25–2.36 Å. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two Eu2+ and three Y3+ atoms. In the second O2- site, O2- is bonded to two equivalent Eu2+ and three Y3+ atoms to form a mixture of distorted edge and corner-sharing OEu2Y3 trigonal bipyramids. In the third O2- site, O2- is bonded to two equivalent Eu2+ and three Y3+ atoms to form a mixture of edge and corner-sharing OEu2Y3 square pyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Eu2+ and three Y3+ atoms. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Eu2+ and three Y3+ atoms. In the sixth O2- site, O2- is bonded to two equivalent Eu2+ and three Y3+ atoms to form a mixture of distorted edge and corner-sharing OEu2Y3 square pyramids. In the seventh O2- site, O2- is bonded to two equivalent Eu2+ and three Y3+ atoms to form a mixture of distorted edge and corner-sharing OEu2Y3 trigonal bipyramids. In the eighth O2- site, O2- is bonded in a 5-coordinate geometry to two Eu2+ and three Y3+ atoms. In the ninth O2- site, O2- is bonded in a 5-coordinate geometry to two Eu2+ and three Y3+ atoms. In the tenth O2- site, O2- is bonded to two equivalent Eu2+ and three Y3+ atoms to form a mixture of distorted edge and corner-sharing OEu2Y3 trigonal bipyramids. In the eleventh O2- site, O2- is bonded to two equivalent Eu2+ and three Y3+ atoms to form a mixture of edge and corner-sharing OEu2Y3 square pyramids. In the twelfth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Eu2+ and three Y3+ atoms. In the thirteenth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Eu2+ and three Y3+ atoms. In the fourteenth O2- site, O2- is bonded to two equivalent Eu2+ and three Y3+ atoms to form a mixture of distorted edge and corner-sharing OEu2Y3 square pyramids. In the fifteenth O2- site, O2- is bonded to two equivalent Eu2+ and three Y3+ atoms to form a mixture of distorted edge and corner-sharing OEu2Y3 trigonal bipyramids. In the sixteenth O2- site, O2- is bonded in a 5-coordinate geometry to two Eu2+ and three Y3+ atoms.« less

Publication Date:
Other Number(s):
mp-1178347
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; EuY2O4; Eu-O-Y
OSTI Identifier:
1706048
DOI:
10.17188/1706048

Citation Formats

The Materials Project. Materials Data on EuY2O4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1706048.
The Materials Project. Materials Data on EuY2O4 by Materials Project. United States. doi:10.17188/1706048.
The Materials Project. 2020. "Materials Data on EuY2O4 by Materials Project". United States. doi:10.17188/1706048. https://www.osti.gov/servlets/purl/1706048. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1706048,
title = {Materials Data on EuY2O4 by Materials Project},
author = {The Materials Project},
abstractNote = {EuY2O4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.58–2.93 Å. In the second Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.59–2.84 Å. In the third Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.59–2.86 Å. In the fourth Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.58–2.89 Å. There are eight inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–64°. There are a spread of Y–O bond distances ranging from 2.25–2.35 Å. In the second Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Y–O bond distances ranging from 2.22–2.39 Å. In the third Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–64°. There are a spread of Y–O bond distances ranging from 2.22–2.39 Å. In the fourth Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Y–O bond distances ranging from 2.25–2.35 Å. In the fifth Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–64°. There are a spread of Y–O bond distances ranging from 2.25–2.36 Å. In the sixth Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–64°. There are a spread of Y–O bond distances ranging from 2.22–2.38 Å. In the seventh Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–64°. There are a spread of Y–O bond distances ranging from 2.22–2.39 Å. In the eighth Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–64°. There are a spread of Y–O bond distances ranging from 2.25–2.36 Å. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two Eu2+ and three Y3+ atoms. In the second O2- site, O2- is bonded to two equivalent Eu2+ and three Y3+ atoms to form a mixture of distorted edge and corner-sharing OEu2Y3 trigonal bipyramids. In the third O2- site, O2- is bonded to two equivalent Eu2+ and three Y3+ atoms to form a mixture of edge and corner-sharing OEu2Y3 square pyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Eu2+ and three Y3+ atoms. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Eu2+ and three Y3+ atoms. In the sixth O2- site, O2- is bonded to two equivalent Eu2+ and three Y3+ atoms to form a mixture of distorted edge and corner-sharing OEu2Y3 square pyramids. In the seventh O2- site, O2- is bonded to two equivalent Eu2+ and three Y3+ atoms to form a mixture of distorted edge and corner-sharing OEu2Y3 trigonal bipyramids. In the eighth O2- site, O2- is bonded in a 5-coordinate geometry to two Eu2+ and three Y3+ atoms. In the ninth O2- site, O2- is bonded in a 5-coordinate geometry to two Eu2+ and three Y3+ atoms. In the tenth O2- site, O2- is bonded to two equivalent Eu2+ and three Y3+ atoms to form a mixture of distorted edge and corner-sharing OEu2Y3 trigonal bipyramids. In the eleventh O2- site, O2- is bonded to two equivalent Eu2+ and three Y3+ atoms to form a mixture of edge and corner-sharing OEu2Y3 square pyramids. In the twelfth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Eu2+ and three Y3+ atoms. In the thirteenth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Eu2+ and three Y3+ atoms. In the fourteenth O2- site, O2- is bonded to two equivalent Eu2+ and three Y3+ atoms to form a mixture of distorted edge and corner-sharing OEu2Y3 square pyramids. In the fifteenth O2- site, O2- is bonded to two equivalent Eu2+ and three Y3+ atoms to form a mixture of distorted edge and corner-sharing OEu2Y3 trigonal bipyramids. In the sixteenth O2- site, O2- is bonded in a 5-coordinate geometry to two Eu2+ and three Y3+ atoms.},
doi = {10.17188/1706048},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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