Materials Data on Ba2H6Pt by Materials Project
Ba2PtH6 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to twelve H+0.33- atoms. There are a spread of Ba–H bond distances ranging from 2.64–3.04 Å. Pt2- is bonded in a square co-planar geometry to four H+0.33- atoms. There is two shorter (1.67 Å) and two longer (1.68 Å) Pt–H bond length. There are three inequivalent H+0.33- sites. In the first H+0.33- site, H+0.33- is bonded to four equivalent Ba2+ atoms to form a mixture of edge and corner-sharing HBa4 tetrahedra. In the second H+0.33- site, H+0.33- is bonded in a single-bond geometry to four equivalent Ba2+ and one Pt2- atom. In the third H+0.33- site, H+0.33- is bonded in a distorted single-bond geometry to four equivalent Ba2+ and one Pt2- atom.
- 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:
- 1280276
- Report Number(s):
- mp-643253
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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