U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on DyMn2O4 by Materials Project
Abstract
DyMn2O4 is Spinel structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Dy3+ is bonded to four O2- atoms to form DyO4 tetrahedra that share corners with twelve MnO6 octahedra. The corner-sharing octahedra tilt angles range from 56–63°. There are three shorter (2.16 Å) and one longer (2.17 Å) Dy–O bond lengths. There are three inequivalent Mn+2.50+ sites. In the first Mn+2.50+ site, Mn+2.50+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent DyO4 tetrahedra and edges with six MnO6 octahedra. There are four shorter (1.98 Å) and two longer (2.40 Å) Mn–O bond lengths. In the second Mn+2.50+ site, Mn+2.50+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent DyO4 tetrahedra and edges with six MnO6 octahedra. There are four shorter (2.21 Å) and two longer (2.23 Å) Mn–O bond lengths. In the third Mn+2.50+ site, Mn+2.50+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent DyO4 tetrahedra and edges with six MnO6 octahedra. There are four shorter (2.09 Å) and two longer (2.31 Å) Mn–O bond lengths. There are three inequivalent O2- sites.more »
- Publication Date:
- Other Number(s):
- mp-1096958
- 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; Dy-Mn-O; DyMn2O4; crystal structure
- OSTI Identifier:
- 1700012
- DOI:
- https://doi.org/10.17188/1700012
Citation Formats
Materials Data on DyMn2O4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1700012.
Materials Data on DyMn2O4 by Materials Project. United States. doi:https://doi.org/10.17188/1700012
2020.
"Materials Data on DyMn2O4 by Materials Project". United States. doi:https://doi.org/10.17188/1700012. https://www.osti.gov/servlets/purl/1700012. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1700012,
title = {Materials Data on DyMn2O4 by Materials Project},
abstractNote = {DyMn2O4 is Spinel structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Dy3+ is bonded to four O2- atoms to form DyO4 tetrahedra that share corners with twelve MnO6 octahedra. The corner-sharing octahedra tilt angles range from 56–63°. There are three shorter (2.16 Å) and one longer (2.17 Å) Dy–O bond lengths. There are three inequivalent Mn+2.50+ sites. In the first Mn+2.50+ site, Mn+2.50+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent DyO4 tetrahedra and edges with six MnO6 octahedra. There are four shorter (1.98 Å) and two longer (2.40 Å) Mn–O bond lengths. In the second Mn+2.50+ site, Mn+2.50+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent DyO4 tetrahedra and edges with six MnO6 octahedra. There are four shorter (2.21 Å) and two longer (2.23 Å) Mn–O bond lengths. In the third Mn+2.50+ site, Mn+2.50+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent DyO4 tetrahedra and edges with six MnO6 octahedra. There are four shorter (2.09 Å) and two longer (2.31 Å) Mn–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Dy3+ and three Mn+2.50+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Dy3+ and three Mn+2.50+ atoms. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Dy3+ and three Mn+2.50+ atoms.},
doi = {10.17188/1700012},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}