U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tm2GeO5 by Materials Project
Abstract
Tm2GeO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tm–O bond distances ranging from 2.17–2.64 Å. In the second Tm3+ site, Tm3+ is bonded to six O2- atoms to form distorted TmO6 octahedra that share corners with four equivalent GeO4 tetrahedra and edges with two equivalent TmO6 octahedra. There are a spread of Tm–O bond distances ranging from 2.18–2.30 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent TmO6 octahedra. The corner-sharing octahedra tilt angles range from 44–71°. There are a spread of Ge–O bond distances ranging from 1.76–1.80 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Tm3+ atoms to form distorted edge-sharing OTm4 tetrahedra. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Tm3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Tm3+ and one Ge4+ atom. In the fourth O2- site, O2- ismore »
- Publication Date:
- Other Number(s):
- mp-770409
- 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-O-Tm; Tm2GeO5; crystal structure
- OSTI Identifier:
- 1299765
- DOI:
- https://doi.org/10.17188/1299765
Citation Formats
Materials Data on Tm2GeO5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1299765.
Materials Data on Tm2GeO5 by Materials Project. United States. doi:https://doi.org/10.17188/1299765
2020.
"Materials Data on Tm2GeO5 by Materials Project". United States. doi:https://doi.org/10.17188/1299765. https://www.osti.gov/servlets/purl/1299765. Pub date:Fri May 01 04:00:00 UTC 2020
@article{osti_1299765,
title = {Materials Data on Tm2GeO5 by Materials Project},
abstractNote = {Tm2GeO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tm–O bond distances ranging from 2.17–2.64 Å. In the second Tm3+ site, Tm3+ is bonded to six O2- atoms to form distorted TmO6 octahedra that share corners with four equivalent GeO4 tetrahedra and edges with two equivalent TmO6 octahedra. There are a spread of Tm–O bond distances ranging from 2.18–2.30 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent TmO6 octahedra. The corner-sharing octahedra tilt angles range from 44–71°. There are a spread of Ge–O bond distances ranging from 1.76–1.80 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Tm3+ atoms to form distorted edge-sharing OTm4 tetrahedra. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Tm3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Tm3+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Tm3+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tm3+ and one Ge4+ atom.},
doi = {10.17188/1299765},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}