Materials Data on ScTe by Materials Project
ScTe is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc2+ is bonded to six Te2- atoms to form a mixture of edge, corner, and face-sharing ScTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–47°. There are three shorter (2.88 Å) and three longer (3.00 Å) Sc–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to six equivalent Sc2+ atoms to form a mixture of distorted edge and corner-sharing TeSc6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 3°. In the second Te2- site, Te2- is bonded to six equivalent Sc2+ atoms to form a mixture of edge and corner-sharing TeSc6 octahedra.
- 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:
- 1743871
- Report Number(s):
- mp-1079832
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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