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Title: Materials Data on La2MnFeSe2O3 by Materials Project

Abstract

La2MnFeSe2O3 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. La3+ is bonded in a 4-coordinate geometry to four equivalent Se2- and four equivalent O2- atoms. All La–Se bond lengths are 3.38 Å. There are two shorter (2.39 Å) and two longer (2.41 Å) La–O bond lengths. Mn2+ is bonded in a distorted linear geometry to four equivalent Se2- and two equivalent O2- atoms. All Mn–Se bond lengths are 2.83 Å. Both Mn–O bond lengths are 2.07 Å. Fe2+ is bonded in a distorted linear geometry to four equivalent Se2- and two equivalent O2- atoms. All Fe–Se bond lengths are 2.81 Å. Both Fe–O bond lengths are 2.10 Å. Se2- is bonded in a 12-coordinate geometry to four equivalent La3+, two equivalent Mn2+, and two equivalent Fe2+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a square co-planar geometry to two equivalent Mn2+ and two equivalent Fe2+ atoms. In the second O2- site, O2- is bonded to four equivalent La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.

Publication Date:
Other Number(s):
mp-1223250
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; La2MnFeSe2O3; Fe-La-Mn-O-Se
OSTI Identifier:
1753000
DOI:
https://doi.org/10.17188/1753000

Citation Formats

The Materials Project. Materials Data on La2MnFeSe2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753000.
The Materials Project. Materials Data on La2MnFeSe2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1753000
The Materials Project. 2020. "Materials Data on La2MnFeSe2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1753000. https://www.osti.gov/servlets/purl/1753000. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1753000,
title = {Materials Data on La2MnFeSe2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {La2MnFeSe2O3 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. La3+ is bonded in a 4-coordinate geometry to four equivalent Se2- and four equivalent O2- atoms. All La–Se bond lengths are 3.38 Å. There are two shorter (2.39 Å) and two longer (2.41 Å) La–O bond lengths. Mn2+ is bonded in a distorted linear geometry to four equivalent Se2- and two equivalent O2- atoms. All Mn–Se bond lengths are 2.83 Å. Both Mn–O bond lengths are 2.07 Å. Fe2+ is bonded in a distorted linear geometry to four equivalent Se2- and two equivalent O2- atoms. All Fe–Se bond lengths are 2.81 Å. Both Fe–O bond lengths are 2.10 Å. Se2- is bonded in a 12-coordinate geometry to four equivalent La3+, two equivalent Mn2+, and two equivalent Fe2+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a square co-planar geometry to two equivalent Mn2+ and two equivalent Fe2+ atoms. In the second O2- site, O2- is bonded to four equivalent La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.},
doi = {10.17188/1753000},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}