U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Yb2Mn(GeO3)4 by Materials Project
Abstract
Yb2Mn(GeO3)4 crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six O2- atoms to form YbO6 octahedra that share corners with eight equivalent GeO4 tetrahedra. There are four shorter (2.28 Å) and two longer (2.41 Å) Yb–O bond lengths. In the second Yb3+ site, Yb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.35 Å) and four longer (2.42 Å) Yb–O bond lengths. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with eight equivalent GeO4 tetrahedra. There are four shorter (1.96 Å) and two longer (2.44 Å) Mn–O bond lengths. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent YbO6 octahedra, corners with two equivalent MnO6 octahedra, and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 45–70°. There are a spread of Ge–O bond distances ranging from 1.73–1.82 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Mn2+ and two equivalent Ge4+ atoms. Inmore »
- Publication Date:
- Other Number(s):
- mp-1216304
- 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; Ge-Mn-O-Yb; Yb2Mn(GeO3)4; crystal structure
- OSTI Identifier:
- 1719653
- DOI:
- https://doi.org/10.17188/1719653
Citation Formats
Materials Data on Yb2Mn(GeO3)4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1719653.
Materials Data on Yb2Mn(GeO3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1719653
2019.
"Materials Data on Yb2Mn(GeO3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1719653. https://www.osti.gov/servlets/purl/1719653. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1719653,
title = {Materials Data on Yb2Mn(GeO3)4 by Materials Project},
abstractNote = {Yb2Mn(GeO3)4 crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six O2- atoms to form YbO6 octahedra that share corners with eight equivalent GeO4 tetrahedra. There are four shorter (2.28 Å) and two longer (2.41 Å) Yb–O bond lengths. In the second Yb3+ site, Yb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.35 Å) and four longer (2.42 Å) Yb–O bond lengths. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with eight equivalent GeO4 tetrahedra. There are four shorter (1.96 Å) and two longer (2.44 Å) Mn–O bond lengths. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent YbO6 octahedra, corners with two equivalent MnO6 octahedra, and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 45–70°. There are a spread of Ge–O bond distances ranging from 1.73–1.82 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Mn2+ and two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Yb3+ and two equivalent Ge4+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Yb3+, one Mn2+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Yb3+ and one Ge4+ atom.},
doi = {10.17188/1719653},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}