DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on SrPrMn2O6 by Materials Project

Abstract

SrPrMn2O6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–3.07 Å. Pr3+ is bonded in a 9-coordinate geometry to six O2- atoms. There are a spread of Pr–O bond distances ranging from 2.44–2.57 Å. Mn+3.50+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 15–23°. There are a spread of Mn–O bond distances ranging from 1.97–1.99 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, one Pr3+, and two equivalent Mn+3.50+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Pr3+, and two equivalent Mn+3.50+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, one Pr3+, and two equivalent Mn+3.50+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one Pr3+, and two equivalent Mn+3.50+ atoms.

Publication Date:
Other Number(s):
mp-1218059
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; SrPrMn2O6; Mn-O-Pr-Sr
OSTI Identifier:
1653153
DOI:
https://doi.org/10.17188/1653153

Citation Formats

The Materials Project. Materials Data on SrPrMn2O6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1653153.
The Materials Project. Materials Data on SrPrMn2O6 by Materials Project. United States. doi:https://doi.org/10.17188/1653153
The Materials Project. 2020. "Materials Data on SrPrMn2O6 by Materials Project". United States. doi:https://doi.org/10.17188/1653153. https://www.osti.gov/servlets/purl/1653153. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1653153,
title = {Materials Data on SrPrMn2O6 by Materials Project},
author = {The Materials Project},
abstractNote = {SrPrMn2O6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–3.07 Å. Pr3+ is bonded in a 9-coordinate geometry to six O2- atoms. There are a spread of Pr–O bond distances ranging from 2.44–2.57 Å. Mn+3.50+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 15–23°. There are a spread of Mn–O bond distances ranging from 1.97–1.99 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, one Pr3+, and two equivalent Mn+3.50+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Pr3+, and two equivalent Mn+3.50+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, one Pr3+, and two equivalent Mn+3.50+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one Pr3+, and two equivalent Mn+3.50+ atoms.},
doi = {10.17188/1653153},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}