Materials Data on Y12Re5C6 by Materials Project
Y12Re5C6 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 3-coordinate geometry to one Re and two equivalent C atoms. The Y–Re bond length is 3.00 Å. Both Y–C bond lengths are 2.52 Å. In the second Y site, Y is bonded in a 4-coordinate geometry to four equivalent C atoms. There are two shorter (2.73 Å) and two longer (2.74 Å) Y–C bond lengths. In the third Y site, Y is bonded in a distorted L-shaped geometry to four equivalent Re and two equivalent C atoms. All Y–Re bond lengths are 3.11 Å. Both Y–C bond lengths are 2.45 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded in a 8-coordinate geometry to six Y and two equivalent Re atoms. Both Re–Re bond lengths are 2.46 Å. In the second Re site, Re is bonded in a trigonal planar geometry to three equivalent C atoms. All Re–C bond lengths are 1.93 Å. C is bonded to five Y and one Re atom to form a mixture of distorted edge and corner-sharing CY5Re octahedra. The corner-sharing octahedra tilt angles range from 9–47°.
- 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:
- 1672585
- Report Number(s):
- mp-1190644
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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