Materials Data on PrNiSnH2 by Materials Project
PrNiSnH2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a distorted hexagonal planar geometry to six H atoms. There are a spread of Pr–H bond distances ranging from 2.60–2.62 Å. Ni is bonded in a linear geometry to three equivalent Sn and two H atoms. All Ni–Sn bond lengths are 2.55 Å. Both Ni–H bond lengths are 1.60 Å. Sn is bonded in a distorted trigonal planar geometry to three equivalent Ni atoms. There are two inequivalent H sites. In the first H site, H is bonded to three equivalent Pr and one Ni atom to form a mixture of distorted edge and corner-sharing HPr3Ni tetrahedra. In the second H site, H is bonded to three equivalent Pr and one Ni atom to form a mixture of distorted edge and corner-sharing HPr3Ni 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:
- 1263014
- Report Number(s):
- mp-510581
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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