U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tb2Mo2C3 by Materials Project
Abstract
Tb2Mo2C3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tb3+ is bonded to five C4- atoms to form TbC5 square pyramids that share corners with two equivalent TbC5 square pyramids, corners with seven equivalent MoC4 tetrahedra, edges with five equivalent TbC5 square pyramids, and edges with three equivalent MoC4 tetrahedra. There are a spread of Tb–C bond distances ranging from 2.45–2.57 Å. Mo3+ is bonded to four C4- atoms to form distorted MoC4 tetrahedra that share corners with seven equivalent TbC5 square pyramids, corners with three equivalent MoC4 tetrahedra, edges with three equivalent TbC5 square pyramids, and edges with two equivalent MoC4 tetrahedra. There are a spread of Mo–C bond distances ranging from 2.07–2.16 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to three equivalent Tb3+ and three equivalent Mo3+ atoms to form CTb3Mo3 octahedra that share corners with three equivalent CTb4Mo2 octahedra and edges with nine CTb3Mo3 octahedra. The corner-sharing octahedra tilt angles range from 11–29°. In the second C4- site, C4- is bonded to four equivalent Tb3+ and two equivalent Mo3+ atoms to form a mixture of edge and corner-sharing CTb4Mo2 octahedra. The corner-sharing octahedra tilt angles rangemore »
- Publication Date:
- Other Number(s):
- mp-1025326
- 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-Tb; Tb2Mo2C3; crystal structure
- OSTI Identifier:
- 1355320
- DOI:
- https://doi.org/10.17188/1355320
Citation Formats
Materials Data on Tb2Mo2C3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355320.
Materials Data on Tb2Mo2C3 by Materials Project. United States. doi:https://doi.org/10.17188/1355320
2020.
"Materials Data on Tb2Mo2C3 by Materials Project". United States. doi:https://doi.org/10.17188/1355320. https://www.osti.gov/servlets/purl/1355320. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1355320,
title = {Materials Data on Tb2Mo2C3 by Materials Project},
abstractNote = {Tb2Mo2C3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tb3+ is bonded to five C4- atoms to form TbC5 square pyramids that share corners with two equivalent TbC5 square pyramids, corners with seven equivalent MoC4 tetrahedra, edges with five equivalent TbC5 square pyramids, and edges with three equivalent MoC4 tetrahedra. There are a spread of Tb–C bond distances ranging from 2.45–2.57 Å. Mo3+ is bonded to four C4- atoms to form distorted MoC4 tetrahedra that share corners with seven equivalent TbC5 square pyramids, corners with three equivalent MoC4 tetrahedra, edges with three equivalent TbC5 square pyramids, and edges with two equivalent MoC4 tetrahedra. There are a spread of Mo–C bond distances ranging from 2.07–2.16 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to three equivalent Tb3+ and three equivalent Mo3+ atoms to form CTb3Mo3 octahedra that share corners with three equivalent CTb4Mo2 octahedra and edges with nine CTb3Mo3 octahedra. The corner-sharing octahedra tilt angles range from 11–29°. In the second C4- site, C4- is bonded to four equivalent Tb3+ and two equivalent Mo3+ atoms to form a mixture of edge and corner-sharing CTb4Mo2 octahedra. The corner-sharing octahedra tilt angles range from 11–29°.},
doi = {10.17188/1355320},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}