Materials Data on Sc2H5 by Materials Project
Sc2H5 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Sc+2.50+ sites. In the first Sc+2.50+ site, Sc+2.50+ is bonded in a 4-coordinate geometry to ten H1- atoms. There are a spread of Sc–H bond distances ranging from 1.90–2.24 Å. In the second Sc+2.50+ site, Sc+2.50+ is bonded in a 9-coordinate geometry to nine H1- atoms. There are a spread of Sc–H bond distances ranging from 1.92–2.09 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a trigonal planar geometry to three Sc+2.50+ atoms. In the second H1- site, H1- is bonded to four Sc+2.50+ atoms to form a mixture of distorted corner, edge, and face-sharing HSc4 tetrahedra. In the third H1- site, H1- is bonded to four Sc+2.50+ atoms to form a mixture of distorted corner, edge, and face-sharing HSc4 tetrahedra.
- 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:
- 1206476
- Report Number(s):
- mp-33112
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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