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Title: Materials Data on Lu2Se3 by Materials Project

Abstract

Lu2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Lu–Se bond distances ranging from 2.81–3.24 Å. In the second Lu3+ site, Lu3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Lu–Se bond distances ranging from 2.82–3.13 Å. In the third Lu3+ site, Lu3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Lu–Se bond distances ranging from 2.83–3.20 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Lu3+ atoms to form a mixture of distorted edge, face, and corner-sharing SeLu5 square pyramids. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to six Lu3+ atoms. In the third Se2- site, Se2- is bonded to five Lu3+ atoms to form a mixture of distorted edge, face, and corner-sharing SeLu5 square pyramids.

Publication Date:
Other Number(s):
mp-673650
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; Lu2Se3; Lu-Se
OSTI Identifier:
1282365
DOI:
10.17188/1282365

Citation Formats

The Materials Project. Materials Data on Lu2Se3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282365.
The Materials Project. Materials Data on Lu2Se3 by Materials Project. United States. doi:10.17188/1282365.
The Materials Project. 2020. "Materials Data on Lu2Se3 by Materials Project". United States. doi:10.17188/1282365. https://www.osti.gov/servlets/purl/1282365. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1282365,
title = {Materials Data on Lu2Se3 by Materials Project},
author = {The Materials Project},
abstractNote = {Lu2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Lu–Se bond distances ranging from 2.81–3.24 Å. In the second Lu3+ site, Lu3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Lu–Se bond distances ranging from 2.82–3.13 Å. In the third Lu3+ site, Lu3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Lu–Se bond distances ranging from 2.83–3.20 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Lu3+ atoms to form a mixture of distorted edge, face, and corner-sharing SeLu5 square pyramids. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to six Lu3+ atoms. In the third Se2- site, Se2- is bonded to five Lu3+ atoms to form a mixture of distorted edge, face, and corner-sharing SeLu5 square pyramids.},
doi = {10.17188/1282365},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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