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Title: Materials Data on La2Se2O by Materials Project

Abstract

La2Se2O crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 3-coordinate geometry to five Se2- and three equivalent O2- atoms. There are a spread of La–Se bond distances ranging from 3.16–3.31 Å. There are one shorter (2.42 Å) and two longer (2.45 Å) La–O bond lengths. In the second La3+ site, La3+ is bonded to five Se2- and one O2- atom to form a mixture of distorted edge and corner-sharing LaSe5O octahedra. The corner-sharing octahedral tilt angles are 65°. There are a spread of La–Se bond distances ranging from 2.98–3.07 Å. The La–O bond length is 2.37 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to five La3+ atoms. O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.

Publication Date:
Other Number(s):
mp-752418
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; La2Se2O; La-O-Se
OSTI Identifier:
1288545
DOI:
https://doi.org/10.17188/1288545

Citation Formats

The Materials Project. Materials Data on La2Se2O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288545.
The Materials Project. Materials Data on La2Se2O by Materials Project. United States. doi:https://doi.org/10.17188/1288545
The Materials Project. 2020. "Materials Data on La2Se2O by Materials Project". United States. doi:https://doi.org/10.17188/1288545. https://www.osti.gov/servlets/purl/1288545. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1288545,
title = {Materials Data on La2Se2O by Materials Project},
author = {The Materials Project},
abstractNote = {La2Se2O crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 3-coordinate geometry to five Se2- and three equivalent O2- atoms. There are a spread of La–Se bond distances ranging from 3.16–3.31 Å. There are one shorter (2.42 Å) and two longer (2.45 Å) La–O bond lengths. In the second La3+ site, La3+ is bonded to five Se2- and one O2- atom to form a mixture of distorted edge and corner-sharing LaSe5O octahedra. The corner-sharing octahedral tilt angles are 65°. There are a spread of La–Se bond distances ranging from 2.98–3.07 Å. The La–O bond length is 2.37 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to five La3+ atoms. O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.},
doi = {10.17188/1288545},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}