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Title: Materials Data on La2Se3 by Materials Project

Abstract

La2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of La–Se bond distances ranging from 3.01–3.38 Å. In the second La3+ site, La3+ is bonded to eight Se2- atoms to form a mixture of distorted corner, edge, and face-sharing LaSe8 hexagonal bipyramids. There are a spread of La–Se bond distances ranging from 3.04–3.21 Å. In the third La3+ site, La3+ is bonded to eight Se2- atoms to form a mixture of distorted corner, edge, and face-sharing LaSe8 hexagonal bipyramids. There are a spread of La–Se bond distances ranging from 3.05–3.29 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five La3+ atoms to form a mixture of distorted corner, edge, and face-sharing SeLa5 square pyramids. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to six La3+ atoms. In the third Se2- site, Se2- is bonded to five La3+ atoms to form a mixture of distorted corner, edge, and face-sharing SeLa5 square pyramids.

Publication Date:
Other Number(s):
mp-32798
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; La2Se3; La-Se
OSTI Identifier:
1206384
DOI:
https://doi.org/10.17188/1206384

Citation Formats

The Materials Project. Materials Data on La2Se3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206384.
The Materials Project. Materials Data on La2Se3 by Materials Project. United States. doi:https://doi.org/10.17188/1206384
The Materials Project. 2020. "Materials Data on La2Se3 by Materials Project". United States. doi:https://doi.org/10.17188/1206384. https://www.osti.gov/servlets/purl/1206384. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1206384,
title = {Materials Data on La2Se3 by Materials Project},
author = {The Materials Project},
abstractNote = {La2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of La–Se bond distances ranging from 3.01–3.38 Å. In the second La3+ site, La3+ is bonded to eight Se2- atoms to form a mixture of distorted corner, edge, and face-sharing LaSe8 hexagonal bipyramids. There are a spread of La–Se bond distances ranging from 3.04–3.21 Å. In the third La3+ site, La3+ is bonded to eight Se2- atoms to form a mixture of distorted corner, edge, and face-sharing LaSe8 hexagonal bipyramids. There are a spread of La–Se bond distances ranging from 3.05–3.29 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five La3+ atoms to form a mixture of distorted corner, edge, and face-sharing SeLa5 square pyramids. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to six La3+ atoms. In the third Se2- site, Se2- is bonded to five La3+ atoms to form a mixture of distorted corner, edge, and face-sharing SeLa5 square pyramids.},
doi = {10.17188/1206384},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}