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Title: Materials Data on SrPrMnO4 by Materials Project

Abstract

SrPrMnO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.41–2.76 Å. Pr3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pr–O bond distances ranging from 2.35–2.75 Å. Mn3+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are a spread of Mn–O bond distances ranging from 1.94–2.22 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Sr2+, four equivalent Pr3+, and one Mn3+ atom to form distorted OSrPr4Mn octahedra that share corners with seventeen OSr2Pr2Mn2 octahedra, edges with eight OSrPr4Mn octahedra, and faces with four equivalent OSr2Pr2Mn2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the second O2- site, O2- is bonded to four equivalent Sr2+, one Pr3+, and one Mn3+ atom to form distorted OSr4PrMn octahedra that share corners with seventeen OSr2Pr2Mn2 octahedra, edges with eight OSrPr4Mn octahedra, and faces with four equivalent OSr2Pr2Mn2 octahedra. The corner-sharing octahedra tilt angles range from 0–54°. Inmore » the third O2- site, O2- is bonded to two equivalent Sr2+, two equivalent Pr3+, and two equivalent Mn3+ atoms to form a mixture of distorted edge, corner, and face-sharing OSr2Pr2Mn2 octahedra. The corner-sharing octahedra tilt angles range from 8–54°.« less

Authors:
Publication Date:
Other Number(s):
mp-1217972
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; SrPrMnO4; Mn-O-Pr-Sr
OSTI Identifier:
1706042
DOI:
https://doi.org/10.17188/1706042

Citation Formats

The Materials Project. Materials Data on SrPrMnO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1706042.
The Materials Project. Materials Data on SrPrMnO4 by Materials Project. United States. doi:https://doi.org/10.17188/1706042
The Materials Project. 2020. "Materials Data on SrPrMnO4 by Materials Project". United States. doi:https://doi.org/10.17188/1706042. https://www.osti.gov/servlets/purl/1706042. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1706042,
title = {Materials Data on SrPrMnO4 by Materials Project},
author = {The Materials Project},
abstractNote = {SrPrMnO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.41–2.76 Å. Pr3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pr–O bond distances ranging from 2.35–2.75 Å. Mn3+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are a spread of Mn–O bond distances ranging from 1.94–2.22 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Sr2+, four equivalent Pr3+, and one Mn3+ atom to form distorted OSrPr4Mn octahedra that share corners with seventeen OSr2Pr2Mn2 octahedra, edges with eight OSrPr4Mn octahedra, and faces with four equivalent OSr2Pr2Mn2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the second O2- site, O2- is bonded to four equivalent Sr2+, one Pr3+, and one Mn3+ atom to form distorted OSr4PrMn octahedra that share corners with seventeen OSr2Pr2Mn2 octahedra, edges with eight OSrPr4Mn octahedra, and faces with four equivalent OSr2Pr2Mn2 octahedra. The corner-sharing octahedra tilt angles range from 0–54°. In the third O2- site, O2- is bonded to two equivalent Sr2+, two equivalent Pr3+, and two equivalent Mn3+ atoms to form a mixture of distorted edge, corner, and face-sharing OSr2Pr2Mn2 octahedra. The corner-sharing octahedra tilt angles range from 8–54°.},
doi = {10.17188/1706042},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}