U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tm2Mo2C3 by Materials Project
Abstract
Tm2Mo2C3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tm3+ is bonded to five C4- atoms to form a mixture of corner and edge-sharing TmC5 square pyramids. There are a spread of Tm–C bond distances ranging from 2.41–2.50 Å. Mo3+ is bonded in a distorted see-saw-like geometry to four C4- atoms. There are a spread of Mo–C bond distances ranging from 2.06–2.17 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to three equivalent Tm3+ and three equivalent Mo3+ atoms to form CTm3Mo3 octahedra that share corners with three equivalent CTm4Mo2 octahedra and edges with nine CTm3Mo3 octahedra. The corner-sharing octahedra tilt angles range from 10–27°. In the second C4- site, C4- is bonded to four equivalent Tm3+ and two equivalent Mo3+ atoms to form a mixture of corner and edge-sharing CTm4Mo2 octahedra. The corner-sharing octahedra tilt angles range from 10–27°.
- Publication Date:
- Other Number(s):
- mp-1025369
- 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; C-Mo-Tm; crystal structure; Tm2Mo2C3
- OSTI Identifier:
- 1355559
- DOI:
- https://doi.org/10.17188/1355559
Citation Formats
Materials Data on Tm2Mo2C3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355559.
Materials Data on Tm2Mo2C3 by Materials Project. United States. doi:https://doi.org/10.17188/1355559
2020.
"Materials Data on Tm2Mo2C3 by Materials Project". United States. doi:https://doi.org/10.17188/1355559. https://www.osti.gov/servlets/purl/1355559. Pub date:Wed Jul 22 20:00:00 EDT 2020
@article{osti_1355559,
title = {Materials Data on Tm2Mo2C3 by Materials Project},
abstractNote = {Tm2Mo2C3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tm3+ is bonded to five C4- atoms to form a mixture of corner and edge-sharing TmC5 square pyramids. There are a spread of Tm–C bond distances ranging from 2.41–2.50 Å. Mo3+ is bonded in a distorted see-saw-like geometry to four C4- atoms. There are a spread of Mo–C bond distances ranging from 2.06–2.17 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to three equivalent Tm3+ and three equivalent Mo3+ atoms to form CTm3Mo3 octahedra that share corners with three equivalent CTm4Mo2 octahedra and edges with nine CTm3Mo3 octahedra. The corner-sharing octahedra tilt angles range from 10–27°. In the second C4- site, C4- is bonded to four equivalent Tm3+ and two equivalent Mo3+ atoms to form a mixture of corner and edge-sharing CTm4Mo2 octahedra. The corner-sharing octahedra tilt angles range from 10–27°.},
doi = {10.17188/1355559},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}