Materials Data on ScH4Pd3 by Materials Project
Abstract
ScPd3H4 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded to six equivalent H atoms to form ScH6 octahedra that share corners with six equivalent ScH6 octahedra and edges with twelve equivalent PdH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–H bond lengths are 2.11 Å. Pd is bonded to six H atoms to form PdH6 octahedra that share corners with six equivalent PdH6 octahedra, edges with four equivalent ScH6 octahedra, and edges with eight equivalent PdH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pd–H bond lengths are 2.11 Å. There are two inequivalent H sites. In the first H site, H is bonded in a distorted linear geometry to two equivalent Sc and four equivalent Pd atoms. In the second H site, H is bonded to six equivalent Pd atoms to form corner-sharing HPd6 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-981386
- 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; ScH4Pd3; H-Pd-Sc
- OSTI Identifier:
- 1316342
- DOI:
- https://doi.org/10.17188/1316342
Citation Formats
The Materials Project. Materials Data on ScH4Pd3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316342.
The Materials Project. Materials Data on ScH4Pd3 by Materials Project. United States. doi:https://doi.org/10.17188/1316342
The Materials Project. 2020.
"Materials Data on ScH4Pd3 by Materials Project". United States. doi:https://doi.org/10.17188/1316342. https://www.osti.gov/servlets/purl/1316342. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1316342,
title = {Materials Data on ScH4Pd3 by Materials Project},
author = {The Materials Project},
abstractNote = {ScPd3H4 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded to six equivalent H atoms to form ScH6 octahedra that share corners with six equivalent ScH6 octahedra and edges with twelve equivalent PdH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–H bond lengths are 2.11 Å. Pd is bonded to six H atoms to form PdH6 octahedra that share corners with six equivalent PdH6 octahedra, edges with four equivalent ScH6 octahedra, and edges with eight equivalent PdH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pd–H bond lengths are 2.11 Å. There are two inequivalent H sites. In the first H site, H is bonded in a distorted linear geometry to two equivalent Sc and four equivalent Pd atoms. In the second H site, H is bonded to six equivalent Pd atoms to form corner-sharing HPd6 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1316342},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}