U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr2ZrMnO6 by Materials Project
Abstract
Sr2ZrMnO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent ZrO6 octahedra, and faces with four equivalent MnO6 octahedra. All Sr–O bond lengths are 2.84 Å. Zr4+ is bonded to six equivalent O2- atoms to form ZrO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–O bond lengths are 2.09 Å. Mn4+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent ZrO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–O bond lengths are 1.92 Å. O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Zr4+, and one Mn4+ atom.
- Publication Date:
- Other Number(s):
- mp-1080730
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Mn-O-Sr-Zr; Sr2ZrMnO6; crystal structure
- OSTI Identifier:
- 1704595
- DOI:
- https://doi.org/10.17188/1704595
Citation Formats
Materials Data on Sr2ZrMnO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1704595.
Materials Data on Sr2ZrMnO6 by Materials Project. United States. doi:https://doi.org/10.17188/1704595
2020.
"Materials Data on Sr2ZrMnO6 by Materials Project". United States. doi:https://doi.org/10.17188/1704595. https://www.osti.gov/servlets/purl/1704595. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1704595,
title = {Materials Data on Sr2ZrMnO6 by Materials Project},
abstractNote = {Sr2ZrMnO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent ZrO6 octahedra, and faces with four equivalent MnO6 octahedra. All Sr–O bond lengths are 2.84 Å. Zr4+ is bonded to six equivalent O2- atoms to form ZrO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–O bond lengths are 2.09 Å. Mn4+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent ZrO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–O bond lengths are 1.92 Å. O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Zr4+, and one Mn4+ atom.},
doi = {10.17188/1704595},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}