U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ti2H4Pd by Materials Project
Abstract
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.
- Authors:
- Publication Date:
- Other Number(s):
- mp-980193
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Ti2H4Pd; H-Pd-Ti
- OSTI Identifier:
- 1316247
- DOI:
- https://doi.org/10.17188/1316247
Citation Formats
The Materials Project. Materials Data on Ti2H4Pd by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316247.
The Materials Project. Materials Data on Ti2H4Pd by Materials Project. United States. doi:https://doi.org/10.17188/1316247
The Materials Project. 2020.
"Materials Data on Ti2H4Pd by Materials Project". United States. doi:https://doi.org/10.17188/1316247. https://www.osti.gov/servlets/purl/1316247. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1316247,
title = {Materials Data on Ti2H4Pd by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1316247},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}