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Title: Materials Data on Y2(SeO4)3 by Materials Project

Abstract

Y2(SeO4)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.28–2.57 Å. There are two inequivalent Se6+ sites. In the first Se6+ site, Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.66–1.71 Å. In the second Se6+ site, Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.66 Å) and two longer (1.70 Å) Se–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Y3+ and one Se6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Y3+ and one Se6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Y3+ and one Se6+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry tomore » two equivalent Y3+ and one Se6+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Y3+ and one Se6+ atom.« less

Publication Date:
Other Number(s):
mp-769207
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; Y2(SeO4)3; O-Se-Y
OSTI Identifier:
1298669
DOI:
https://doi.org/10.17188/1298669

Citation Formats

The Materials Project. Materials Data on Y2(SeO4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298669.
The Materials Project. Materials Data on Y2(SeO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1298669
The Materials Project. 2020. "Materials Data on Y2(SeO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1298669. https://www.osti.gov/servlets/purl/1298669. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1298669,
title = {Materials Data on Y2(SeO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Y2(SeO4)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.28–2.57 Å. There are two inequivalent Se6+ sites. In the first Se6+ site, Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.66–1.71 Å. In the second Se6+ site, Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.66 Å) and two longer (1.70 Å) Se–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Y3+ and one Se6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Y3+ and one Se6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Y3+ and one Se6+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Se6+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Y3+ and one Se6+ atom.},
doi = {10.17188/1298669},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}