Materials Data on GdH3 by Materials Project
GdH3 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Gd3+ is bonded in a 11-coordinate geometry to eleven H1- atoms. There are a spread of Gd–H bond distances ranging from 2.16–2.52 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a trigonal non-coplanar geometry to three equivalent Gd3+ atoms. In the second H1- site, H1- is bonded to four equivalent Gd3+ atoms to form a mixture of distorted edge, face, and corner-sharing HGd4 tetrahedra. In the third H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Gd3+ atoms.
- 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:
- 1262698
- Report Number(s):
- mp-505686
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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