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Title: Materials Data on Y2Mn3O9 by Materials Project

Abstract

Y2Mn3O9 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are four inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.27–2.62 Å. In the second Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.25–2.47 Å. In the third Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.25–2.46 Å. In the fourth Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.27–2.63 Å. There are six inequivalent Mn4+ sites. In the first Mn4+ site, Mn4+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 26–33°. There are a spread of Mn–O bond distances ranging from 1.93–1.96 Å. In the second Mn4+ site, Mn4+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 27–33°. There aremore » a spread of Mn–O bond distances ranging from 1.91–1.98 Å. In the third Mn4+ site, Mn4+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 28–33°. There are a spread of Mn–O bond distances ranging from 1.91–1.98 Å. In the fourth Mn4+ site, Mn4+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 27–33°. There are a spread of Mn–O bond distances ranging from 1.91–1.98 Å. In the fifth Mn4+ site, Mn4+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 26–33°. There are a spread of Mn–O bond distances ranging from 1.93–1.95 Å. In the sixth Mn4+ site, Mn4+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 27–33°. There are a spread of Mn–O bond distances ranging from 1.91–1.99 Å. There are eighteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two Mn4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two Mn4+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Y3+ and two equivalent Mn4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Y3+ and two equivalent Mn4+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two Mn4+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two Mn4+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Y3+ and two equivalent Mn4+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two Mn4+ atoms. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two Mn4+ atoms. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two Mn4+ atoms. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two Mn4+ atoms. In the twelfth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Y3+ and two equivalent Mn4+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted tetrahedral geometry to two Y3+ and two Mn4+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted T-shaped geometry to one Y3+ and two Mn4+ atoms. In the fifteenth O2- site, O2- is bonded in a distorted T-shaped geometry to one Y3+ and two Mn4+ atoms. In the sixteenth O2- site, O2- is bonded in a distorted T-shaped geometry to one Y3+ and two Mn4+ atoms. In the seventeenth O2- site, O2- is bonded in a distorted T-shaped geometry to one Y3+ and two Mn4+ atoms. In the eighteenth O2- site, O2- is bonded in a distorted tetrahedral geometry to two Y3+ and two Mn4+ atoms.« less

Publication Date:
Other Number(s):
mvc-14400
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; Y2Mn3O9; Mn-O-Y
OSTI Identifier:
1319131
DOI:
https://doi.org/10.17188/1319131

Citation Formats

The Materials Project. Materials Data on Y2Mn3O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1319131.
The Materials Project. Materials Data on Y2Mn3O9 by Materials Project. United States. doi:https://doi.org/10.17188/1319131
The Materials Project. 2020. "Materials Data on Y2Mn3O9 by Materials Project". United States. doi:https://doi.org/10.17188/1319131. https://www.osti.gov/servlets/purl/1319131. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1319131,
title = {Materials Data on Y2Mn3O9 by Materials Project},
author = {The Materials Project},
abstractNote = {Y2Mn3O9 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are four inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.27–2.62 Å. In the second Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.25–2.47 Å. In the third Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.25–2.46 Å. In the fourth Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.27–2.63 Å. There are six inequivalent Mn4+ sites. In the first Mn4+ site, Mn4+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 26–33°. There are a spread of Mn–O bond distances ranging from 1.93–1.96 Å. In the second Mn4+ site, Mn4+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 27–33°. There are a spread of Mn–O bond distances ranging from 1.91–1.98 Å. In the third Mn4+ site, Mn4+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 28–33°. There are a spread of Mn–O bond distances ranging from 1.91–1.98 Å. In the fourth Mn4+ site, Mn4+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 27–33°. There are a spread of Mn–O bond distances ranging from 1.91–1.98 Å. In the fifth Mn4+ site, Mn4+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 26–33°. There are a spread of Mn–O bond distances ranging from 1.93–1.95 Å. In the sixth Mn4+ site, Mn4+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 27–33°. There are a spread of Mn–O bond distances ranging from 1.91–1.99 Å. There are eighteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two Mn4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two Mn4+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Y3+ and two equivalent Mn4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Y3+ and two equivalent Mn4+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two Mn4+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two Mn4+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Y3+ and two equivalent Mn4+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two Mn4+ atoms. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two Mn4+ atoms. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two Mn4+ atoms. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two Mn4+ atoms. In the twelfth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Y3+ and two equivalent Mn4+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted tetrahedral geometry to two Y3+ and two Mn4+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted T-shaped geometry to one Y3+ and two Mn4+ atoms. In the fifteenth O2- site, O2- is bonded in a distorted T-shaped geometry to one Y3+ and two Mn4+ atoms. In the sixteenth O2- site, O2- is bonded in a distorted T-shaped geometry to one Y3+ and two Mn4+ atoms. In the seventeenth O2- site, O2- is bonded in a distorted T-shaped geometry to one Y3+ and two Mn4+ atoms. In the eighteenth O2- site, O2- is bonded in a distorted tetrahedral geometry to two Y3+ and two Mn4+ atoms.},
doi = {10.17188/1319131},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}