U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TmCu(MoO4)2 by Materials Project
Abstract
TmCu(MoO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Tm3+ is bonded to six O2- atoms to form distorted TmO6 octahedra that share corners with eight equivalent MoO6 octahedra and edges with two equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 47–58°. There are a spread of Tm–O bond distances ranging from 2.19–2.34 Å. Mo6+ is bonded to six O2- atoms to form distorted MoO6 octahedra that share corners with four equivalent TmO6 octahedra, corners with four equivalent CuO6 octahedra, and edges with two equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 42–58°. There are a spread of Mo–O bond distances ranging from 1.83–2.22 Å. Cu1+ is bonded to six O2- atoms to form distorted CuO6 octahedra that share corners with eight equivalent MoO6 octahedra and edges with two equivalent TmO6 octahedra. The corner-sharing octahedra tilt angles range from 42–56°. There are a spread of Cu–O bond distances ranging from 2.09–2.39 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Tm3+, one Mo6+, and one Cu1+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometrymore »
- Publication Date:
- Other Number(s):
- mp-1208120
- 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; Cu-Mo-O-Tm; TmCu(MoO4)2; crystal structure
- OSTI Identifier:
- 1687121
- DOI:
- https://doi.org/10.17188/1687121
Citation Formats
Materials Data on TmCu(MoO4)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1687121.
Materials Data on TmCu(MoO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1687121
2019.
"Materials Data on TmCu(MoO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1687121. https://www.osti.gov/servlets/purl/1687121. Pub date:Sat Jan 12 04:00:00 UTC 2019
@article{osti_1687121,
title = {Materials Data on TmCu(MoO4)2 by Materials Project},
abstractNote = {TmCu(MoO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Tm3+ is bonded to six O2- atoms to form distorted TmO6 octahedra that share corners with eight equivalent MoO6 octahedra and edges with two equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 47–58°. There are a spread of Tm–O bond distances ranging from 2.19–2.34 Å. Mo6+ is bonded to six O2- atoms to form distorted MoO6 octahedra that share corners with four equivalent TmO6 octahedra, corners with four equivalent CuO6 octahedra, and edges with two equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 42–58°. There are a spread of Mo–O bond distances ranging from 1.83–2.22 Å. Cu1+ is bonded to six O2- atoms to form distorted CuO6 octahedra that share corners with eight equivalent MoO6 octahedra and edges with two equivalent TmO6 octahedra. The corner-sharing octahedra tilt angles range from 42–56°. There are a spread of Cu–O bond distances ranging from 2.09–2.39 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Tm3+, one Mo6+, and one Cu1+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Tm3+ and two equivalent Mo6+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Tm3+, one Mo6+, and one Cu1+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Mo6+ and one Cu1+ atom.},
doi = {10.17188/1687121},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jan 12 04:00:00 UTC 2019},
month = {Sat Jan 12 04:00:00 UTC 2019}
}