Materials Data on Ti2H4Pd by Materials Project
Ti2PdH4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ti is bonded in a 8-coordinate geometry to eight H atoms. There are four shorter (1.94 Å) and four longer (2.10 Å) Ti–H bond lengths. Pd is bonded in a linear geometry to two equivalent H atoms. Both Pd–H bond lengths are 1.75 Å. There are two inequivalent H sites. In the first H site, H is bonded to four equivalent Ti and one Pd atom to form HTi4Pd square pyramids that share corners with five equivalent HTi4Pd square pyramids, corners with eight equivalent HTi4 tetrahedra, edges with four equivalent HTi4Pd square pyramids, and edges with four equivalent HTi4 tetrahedra. In the second H site, H is bonded to four equivalent Ti atoms to form HTi4 tetrahedra that share corners with eight equivalent HTi4Pd square pyramids, corners with four equivalent HTi4 tetrahedra, edges with four equivalent HTi4Pd square pyramids, and edges with four equivalent HTi4 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:
- 1316247
- Report Number(s):
- mp-980193
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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