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Title: Materials Data on La2Mn3PbO9 by Materials Project

Abstract

La2Mn3PbO9 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.46–2.78 Å. There are two inequivalent Mn+3.33+ sites. In the first Mn+3.33+ site, Mn+3.33+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with two equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 21°. All Mn–O bond lengths are 2.00 Å. In the second Mn+3.33+ site, Mn+3.33+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six MnO6 octahedra and faces with three equivalent PbO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 14–21°. There are three shorter (1.99 Å) and three longer (2.01 Å) Mn–O bond lengths. Pb2+ is bonded to twelve O2- atoms to form distorted PbO12 cuboctahedra that share corners with six equivalent PbO12 cuboctahedra and faces with eight MnO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.56–3.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometrymore » to two equivalent La3+, two equivalent Mn+3.33+, and two equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent La3+, two Mn+3.33+, and one Pb2+ atom.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1284537
Report Number(s):
mp-690564
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; La2Mn3PbO9; La-Mn-O-Pb

Citation Formats

The Materials Project. Materials Data on La2Mn3PbO9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1284537.
The Materials Project. Materials Data on La2Mn3PbO9 by Materials Project. United States. https://doi.org/10.17188/1284537
The Materials Project. 2020. "Materials Data on La2Mn3PbO9 by Materials Project". United States. https://doi.org/10.17188/1284537. https://www.osti.gov/servlets/purl/1284537.
@article{osti_1284537,
title = {Materials Data on La2Mn3PbO9 by Materials Project},
author = {The Materials Project},
abstractNote = {La2Mn3PbO9 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.46–2.78 Å. There are two inequivalent Mn+3.33+ sites. In the first Mn+3.33+ site, Mn+3.33+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with two equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 21°. All Mn–O bond lengths are 2.00 Å. In the second Mn+3.33+ site, Mn+3.33+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six MnO6 octahedra and faces with three equivalent PbO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 14–21°. There are three shorter (1.99 Å) and three longer (2.01 Å) Mn–O bond lengths. Pb2+ is bonded to twelve O2- atoms to form distorted PbO12 cuboctahedra that share corners with six equivalent PbO12 cuboctahedra and faces with eight MnO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.56–3.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent La3+, two equivalent Mn+3.33+, and two equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent La3+, two Mn+3.33+, and one Pb2+ atom.},
doi = {10.17188/1284537},
url = {https://www.osti.gov/biblio/1284537}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Aug 03 00:00:00 EDT 2020},
month = {Mon Aug 03 00:00:00 EDT 2020}
}