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Title: Materials Data on La5Mn5O18 by Materials Project

Abstract

La5Mn5O18 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are five inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of La–O bond distances ranging from 2.46–3.04 Å. In the second La3+ site, La3+ is bonded in a 12-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.43–2.81 Å. In the third La3+ site, La3+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of La–O bond distances ranging from 2.45–3.04 Å. In the fourth La3+ site, La3+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of La–O bond distances ranging from 2.44–3.10 Å. In the fifth La3+ site, La3+ is bonded in a 12-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.42–2.77 Å. There are five inequivalent Mn+4.20+ sites. In the first Mn+4.20+ site, Mn+4.20+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 8–24°. There are a spread of Mn–O bond distances ranging from 1.86–2.02more » Å. In the second Mn+4.20+ site, Mn+4.20+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 11–23°. There are a spread of Mn–O bond distances ranging from 1.86–2.03 Å. In the third Mn+4.20+ site, Mn+4.20+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 11–23°. There are a spread of Mn–O bond distances ranging from 1.85–1.99 Å. In the fourth Mn+4.20+ site, Mn+4.20+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are a spread of Mn–O bond distances ranging from 1.87–1.97 Å. In the fifth Mn+4.20+ site, Mn+4.20+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 8–24°. There are a spread of Mn–O bond distances ranging from 1.85–2.00 Å. There are eighteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two La3+ and two Mn+4.20+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three La3+ and two Mn+4.20+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two La3+ and two Mn+4.20+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Mn+4.20+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to four La3+ and one Mn+4.20+ atom. In the sixth O2- site, O2- is bonded in a distorted linear geometry to three La3+ and two Mn+4.20+ atoms. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Mn+4.20+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to four La3+ and one Mn+4.20+ atom. In the ninth O2- site, O2- is bonded in a 5-coordinate geometry to three La3+ and two Mn+4.20+ atoms. In the tenth O2- site, O2- is bonded in a 5-coordinate geometry to four La3+ and two Mn+4.20+ atoms. In the eleventh O2- site, O2- is bonded in a 1-coordinate geometry to four La3+ and one Mn+4.20+ atom. In the twelfth O2- site, O2- is bonded in a 1-coordinate geometry to four La3+ and one Mn+4.20+ atom. In the thirteenth O2- site, O2- is bonded in a 2-coordinate geometry to three La3+ and two Mn+4.20+ atoms. In the fourteenth O2- site, O2- is bonded in a 1-coordinate geometry to four La3+ and one Mn+4.20+ atom. In the fifteenth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent La3+ and two Mn+4.20+ atoms. In the sixteenth O2- site, O2- is bonded in a distorted linear geometry to three La3+ and two Mn+4.20+ atoms. In the seventeenth O2- site, O2- is bonded in a 4-coordinate geometry to two La3+ and two Mn+4.20+ atoms. In the eighteenth O2- site, O2- is bonded in a 2-coordinate geometry to three La3+ and two Mn+4.20+ atoms.« less

Publication Date:
Other Number(s):
mp-690531
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; La5Mn5O18; La-Mn-O
OSTI Identifier:
1284515
DOI:
10.17188/1284515

Citation Formats

The Materials Project. Materials Data on La5Mn5O18 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1284515.
The Materials Project. Materials Data on La5Mn5O18 by Materials Project. United States. doi:10.17188/1284515.
The Materials Project. 2020. "Materials Data on La5Mn5O18 by Materials Project". United States. doi:10.17188/1284515. https://www.osti.gov/servlets/purl/1284515. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1284515,
title = {Materials Data on La5Mn5O18 by Materials Project},
author = {The Materials Project},
abstractNote = {La5Mn5O18 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are five inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of La–O bond distances ranging from 2.46–3.04 Å. In the second La3+ site, La3+ is bonded in a 12-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.43–2.81 Å. In the third La3+ site, La3+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of La–O bond distances ranging from 2.45–3.04 Å. In the fourth La3+ site, La3+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of La–O bond distances ranging from 2.44–3.10 Å. In the fifth La3+ site, La3+ is bonded in a 12-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.42–2.77 Å. There are five inequivalent Mn+4.20+ sites. In the first Mn+4.20+ site, Mn+4.20+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 8–24°. There are a spread of Mn–O bond distances ranging from 1.86–2.02 Å. In the second Mn+4.20+ site, Mn+4.20+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 11–23°. There are a spread of Mn–O bond distances ranging from 1.86–2.03 Å. In the third Mn+4.20+ site, Mn+4.20+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 11–23°. There are a spread of Mn–O bond distances ranging from 1.85–1.99 Å. In the fourth Mn+4.20+ site, Mn+4.20+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are a spread of Mn–O bond distances ranging from 1.87–1.97 Å. In the fifth Mn+4.20+ site, Mn+4.20+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 8–24°. There are a spread of Mn–O bond distances ranging from 1.85–2.00 Å. There are eighteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two La3+ and two Mn+4.20+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three La3+ and two Mn+4.20+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two La3+ and two Mn+4.20+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Mn+4.20+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to four La3+ and one Mn+4.20+ atom. In the sixth O2- site, O2- is bonded in a distorted linear geometry to three La3+ and two Mn+4.20+ atoms. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Mn+4.20+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to four La3+ and one Mn+4.20+ atom. In the ninth O2- site, O2- is bonded in a 5-coordinate geometry to three La3+ and two Mn+4.20+ atoms. In the tenth O2- site, O2- is bonded in a 5-coordinate geometry to four La3+ and two Mn+4.20+ atoms. In the eleventh O2- site, O2- is bonded in a 1-coordinate geometry to four La3+ and one Mn+4.20+ atom. In the twelfth O2- site, O2- is bonded in a 1-coordinate geometry to four La3+ and one Mn+4.20+ atom. In the thirteenth O2- site, O2- is bonded in a 2-coordinate geometry to three La3+ and two Mn+4.20+ atoms. In the fourteenth O2- site, O2- is bonded in a 1-coordinate geometry to four La3+ and one Mn+4.20+ atom. In the fifteenth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent La3+ and two Mn+4.20+ atoms. In the sixteenth O2- site, O2- is bonded in a distorted linear geometry to three La3+ and two Mn+4.20+ atoms. In the seventeenth O2- site, O2- is bonded in a 4-coordinate geometry to two La3+ and two Mn+4.20+ atoms. In the eighteenth O2- site, O2- is bonded in a 2-coordinate geometry to three La3+ and two Mn+4.20+ atoms.},
doi = {10.17188/1284515},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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