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Title: Materials Data on Y2Se3 by Materials Project

Abstract

Y2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Y–Se bond distances ranging from 2.89–3.14 Å. In the second Y3+ site, Y3+ is bonded to eight Se2- atoms to form distorted edge-sharing YSe8 hexagonal bipyramids. There are a spread of Y–Se bond distances ranging from 2.90–3.22 Å. In the third Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Y–Se bond distances ranging from 2.86–3.27 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to six Y3+ atoms. In the second Se2- site, Se2- is bonded to five Y3+ atoms to form a mixture of distorted face, edge, and corner-sharing SeY5 square pyramids. In the third Se2- site, Se2- is bonded to five Y3+ atoms to form a mixture of distorted face, edge, and corner-sharing SeY5 square pyramids.

Publication Date:
Other Number(s):
mp-673656
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; Y2Se3; Se-Y
OSTI Identifier:
1282368
DOI:
10.17188/1282368

Citation Formats

The Materials Project. Materials Data on Y2Se3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282368.
The Materials Project. Materials Data on Y2Se3 by Materials Project. United States. doi:10.17188/1282368.
The Materials Project. 2020. "Materials Data on Y2Se3 by Materials Project". United States. doi:10.17188/1282368. https://www.osti.gov/servlets/purl/1282368. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1282368,
title = {Materials Data on Y2Se3 by Materials Project},
author = {The Materials Project},
abstractNote = {Y2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Y–Se bond distances ranging from 2.89–3.14 Å. In the second Y3+ site, Y3+ is bonded to eight Se2- atoms to form distorted edge-sharing YSe8 hexagonal bipyramids. There are a spread of Y–Se bond distances ranging from 2.90–3.22 Å. In the third Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Y–Se bond distances ranging from 2.86–3.27 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to six Y3+ atoms. In the second Se2- site, Se2- is bonded to five Y3+ atoms to form a mixture of distorted face, edge, and corner-sharing SeY5 square pyramids. In the third Se2- site, Se2- is bonded to five Y3+ atoms to form a mixture of distorted face, edge, and corner-sharing SeY5 square pyramids.},
doi = {10.17188/1282368},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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