Materials Data on Tb2ReC2 by Materials Project
Tb2ReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to five C atoms to form a mixture of edge and corner-sharing TbC5 square pyramids. There are a spread of Tb–C bond distances ranging from 2.51–2.59 Å. In the second Tb site, Tb is bonded in a distorted rectangular see-saw-like geometry to four C atoms. There are a spread of Tb–C bond distances ranging from 2.54–2.71 Å. Re is bonded in a distorted trigonal planar geometry to three C atoms. There are a spread of Re–C bond distances ranging from 1.93–2.04 Å. There are two inequivalent C sites. In the first C site, C is bonded to five Tb and one Re atom to form a mixture of edge and corner-sharing CTb5Re octahedra. The corner-sharing octahedra tilt angles range from 3–39°. In the second C site, C is bonded to four Tb and two equivalent Re atoms to form a mixture of edge and corner-sharing CTb4Re2 octahedra. The corner-sharing octahedra tilt angles range from 12–39°.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1313791
- Report Number(s):
- mp-972246
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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