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Title: Materials Data on LaPrMn2O6 by Materials Project

Abstract

PrLaMn2O6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.41–2.76 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.81 Å. Mn3+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 26–28°. There are a spread of Mn–O bond distances ranging from 2.00–2.08 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Pr3+ and two equivalent Mn3+ atoms to form distorted corner-sharing OPr2Mn2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent La3+ and two equivalent Mn3+ atoms to form distorted corner-sharing OLa2Mn2 tetrahedra. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Pr3+, one La3+, and two equivalent Mn3+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to one Pr3+, two equivalent La3+, and two equivalent Mn3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1222975
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; LaPrMn2O6; La-Mn-O-Pr
OSTI Identifier:
1738546
DOI:
https://doi.org/10.17188/1738546

Citation Formats

The Materials Project. Materials Data on LaPrMn2O6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738546.
The Materials Project. Materials Data on LaPrMn2O6 by Materials Project. United States. doi:https://doi.org/10.17188/1738546
The Materials Project. 2020. "Materials Data on LaPrMn2O6 by Materials Project". United States. doi:https://doi.org/10.17188/1738546. https://www.osti.gov/servlets/purl/1738546. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1738546,
title = {Materials Data on LaPrMn2O6 by Materials Project},
author = {The Materials Project},
abstractNote = {PrLaMn2O6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.41–2.76 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.81 Å. Mn3+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 26–28°. There are a spread of Mn–O bond distances ranging from 2.00–2.08 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Pr3+ and two equivalent Mn3+ atoms to form distorted corner-sharing OPr2Mn2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent La3+ and two equivalent Mn3+ atoms to form distorted corner-sharing OLa2Mn2 tetrahedra. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Pr3+, one La3+, and two equivalent Mn3+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to one Pr3+, two equivalent La3+, and two equivalent Mn3+ atoms.},
doi = {10.17188/1738546},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}