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Title: Materials Data on SrPrMgRuO6 by Materials Project

Abstract

SrMgPrRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.81 Å. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 20–28°. There are a spread of Mg–O bond distances ranging from 2.08–2.11 Å. Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.41–2.82 Å. Ru5+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 20–28°. There are a spread of Ru–O bond distances ranging from 1.97–1.99 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+, one Mg2+, one Pr3+, and one Ru5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+, one Mg2+, one Pr3+, and one Ru5+ atom. In the third O2- site, O2- ismore » bonded in a 5-coordinate geometry to two equivalent Sr2+, one Mg2+, one Pr3+, and one Ru5+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to one Sr2+, one Mg2+, two equivalent Pr3+, and one Ru5+ atom. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, one Mg2+, one Pr3+, and one Ru5+ atom. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to one Sr2+, one Mg2+, two equivalent Pr3+, and one Ru5+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1218058
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; SrPrMgRuO6; Mg-O-Pr-Ru-Sr
OSTI Identifier:
1721965
DOI:
https://doi.org/10.17188/1721965

Citation Formats

The Materials Project. Materials Data on SrPrMgRuO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1721965.
The Materials Project. Materials Data on SrPrMgRuO6 by Materials Project. United States. doi:https://doi.org/10.17188/1721965
The Materials Project. 2020. "Materials Data on SrPrMgRuO6 by Materials Project". United States. doi:https://doi.org/10.17188/1721965. https://www.osti.gov/servlets/purl/1721965. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1721965,
title = {Materials Data on SrPrMgRuO6 by Materials Project},
author = {The Materials Project},
abstractNote = {SrMgPrRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.81 Å. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 20–28°. There are a spread of Mg–O bond distances ranging from 2.08–2.11 Å. Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.41–2.82 Å. Ru5+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 20–28°. There are a spread of Ru–O bond distances ranging from 1.97–1.99 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+, one Mg2+, one Pr3+, and one Ru5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+, one Mg2+, one Pr3+, and one Ru5+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, one Mg2+, one Pr3+, and one Ru5+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to one Sr2+, one Mg2+, two equivalent Pr3+, and one Ru5+ atom. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, one Mg2+, one Pr3+, and one Ru5+ atom. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to one Sr2+, one Mg2+, two equivalent Pr3+, and one Ru5+ atom.},
doi = {10.17188/1721965},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}