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Title: Materials Data on Ba(LaSe2)2 by Materials Project

Abstract

Ba(LaSe2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ba2+ is bonded to eight equivalent Se2- atoms to form distorted BaSe8 hexagonal bipyramids that share corners with eight equivalent LaSe8 hexagonal bipyramids, edges with four equivalent BaSe8 hexagonal bipyramids, and faces with eight equivalent LaSe8 hexagonal bipyramids. There are four shorter (3.24 Å) and four longer (3.37 Å) Ba–Se bond lengths. La3+ is bonded to eight equivalent Se2- atoms to form distorted LaSe8 hexagonal bipyramids that share corners with four equivalent BaSe8 hexagonal bipyramids, corners with four equivalent LaSe8 hexagonal bipyramids, edges with four equivalent LaSe8 hexagonal bipyramids, faces with four equivalent BaSe8 hexagonal bipyramids, and faces with four equivalent LaSe8 hexagonal bipyramids. There are a spread of La–Se bond distances ranging from 3.04–3.35 Å. Se2- is bonded in a 6-coordinate geometry to two equivalent Ba2+ and four equivalent La3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-37741
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ba(LaSe2)2; Ba-La-Se
OSTI Identifier:
1207409
DOI:
https://doi.org/10.17188/1207409

Citation Formats

The Materials Project. Materials Data on Ba(LaSe2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207409.
The Materials Project. Materials Data on Ba(LaSe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1207409
The Materials Project. 2020. "Materials Data on Ba(LaSe2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1207409. https://www.osti.gov/servlets/purl/1207409. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1207409,
title = {Materials Data on Ba(LaSe2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba(LaSe2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ba2+ is bonded to eight equivalent Se2- atoms to form distorted BaSe8 hexagonal bipyramids that share corners with eight equivalent LaSe8 hexagonal bipyramids, edges with four equivalent BaSe8 hexagonal bipyramids, and faces with eight equivalent LaSe8 hexagonal bipyramids. There are four shorter (3.24 Å) and four longer (3.37 Å) Ba–Se bond lengths. La3+ is bonded to eight equivalent Se2- atoms to form distorted LaSe8 hexagonal bipyramids that share corners with four equivalent BaSe8 hexagonal bipyramids, corners with four equivalent LaSe8 hexagonal bipyramids, edges with four equivalent LaSe8 hexagonal bipyramids, faces with four equivalent BaSe8 hexagonal bipyramids, and faces with four equivalent LaSe8 hexagonal bipyramids. There are a spread of La–Se bond distances ranging from 3.04–3.35 Å. Se2- is bonded in a 6-coordinate geometry to two equivalent Ba2+ and four equivalent La3+ atoms.},
doi = {10.17188/1207409},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}