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Title: Materials Data on La(ErSe2)2 by Materials Project

Abstract

La(ErSe2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Er3+ is bonded to eight equivalent Se2- atoms to form distorted ErSe8 hexagonal bipyramids that share corners with four equivalent ErSe8 hexagonal bipyramids, corners with four equivalent LaSe8 hexagonal bipyramids, edges with four equivalent ErSe8 hexagonal bipyramids, faces with four equivalent ErSe8 hexagonal bipyramids, and faces with four equivalent LaSe8 hexagonal bipyramids. There are a spread of Er–Se bond distances ranging from 2.87–3.22 Å. La2+ is bonded to eight equivalent Se2- atoms to form distorted LaSe8 hexagonal bipyramids that share corners with eight equivalent ErSe8 hexagonal bipyramids, edges with four equivalent LaSe8 hexagonal bipyramids, and faces with eight equivalent ErSe8 hexagonal bipyramids. There are four shorter (3.00 Å) and four longer (3.17 Å) La–Se bond lengths. Se2- is bonded in a 6-coordinate geometry to four equivalent Er3+ and two equivalent La2+ atoms.

Publication Date:
Other Number(s):
mp-1223286
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; La(ErSe2)2; Er-La-Se
OSTI Identifier:
1752774
DOI:
https://doi.org/10.17188/1752774

Citation Formats

The Materials Project. Materials Data on La(ErSe2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1752774.
The Materials Project. Materials Data on La(ErSe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1752774
The Materials Project. 2020. "Materials Data on La(ErSe2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1752774. https://www.osti.gov/servlets/purl/1752774. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1752774,
title = {Materials Data on La(ErSe2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {La(ErSe2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Er3+ is bonded to eight equivalent Se2- atoms to form distorted ErSe8 hexagonal bipyramids that share corners with four equivalent ErSe8 hexagonal bipyramids, corners with four equivalent LaSe8 hexagonal bipyramids, edges with four equivalent ErSe8 hexagonal bipyramids, faces with four equivalent ErSe8 hexagonal bipyramids, and faces with four equivalent LaSe8 hexagonal bipyramids. There are a spread of Er–Se bond distances ranging from 2.87–3.22 Å. La2+ is bonded to eight equivalent Se2- atoms to form distorted LaSe8 hexagonal bipyramids that share corners with eight equivalent ErSe8 hexagonal bipyramids, edges with four equivalent LaSe8 hexagonal bipyramids, and faces with eight equivalent ErSe8 hexagonal bipyramids. There are four shorter (3.00 Å) and four longer (3.17 Å) La–Se bond lengths. Se2- is bonded in a 6-coordinate geometry to four equivalent Er3+ and two equivalent La2+ atoms.},
doi = {10.17188/1752774},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}