U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Er3Al2Ni6H7 by Materials Project
Abstract
Er3Ni6Al2H7 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Er is bonded in a 4-coordinate geometry to four equivalent H atoms. All Er–H bond lengths are 2.14 Å. Ni is bonded in a distorted bent 150 degrees geometry to two equivalent Al and two equivalent H atoms. Both Ni–Al bond lengths are 2.51 Å. Both Ni–H bond lengths are 1.70 Å. Al is bonded in a distorted linear geometry to six equivalent Ni and two equivalent H atoms. Both Al–H bond lengths are 2.00 Å. There are two inequivalent H sites. In the first H site, H is bonded to three equivalent Er and one Al atom to form a mixture of edge and corner-sharing HEr3Al tetrahedra. In the second H site, H is bonded to four equivalent Ni atoms to form distorted corner-sharing HNi4 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-1201730
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Al-Er-H-Ni; Er3Al2Ni6H7; crystal structure
- OSTI Identifier:
- 1685903
- DOI:
- https://doi.org/10.17188/1685903
Citation Formats
Materials Data on Er3Al2Ni6H7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1685903.
Materials Data on Er3Al2Ni6H7 by Materials Project. United States. doi:https://doi.org/10.17188/1685903
2020.
"Materials Data on Er3Al2Ni6H7 by Materials Project". United States. doi:https://doi.org/10.17188/1685903. https://www.osti.gov/servlets/purl/1685903. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1685903,
title = {Materials Data on Er3Al2Ni6H7 by Materials Project},
abstractNote = {Er3Ni6Al2H7 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Er is bonded in a 4-coordinate geometry to four equivalent H atoms. All Er–H bond lengths are 2.14 Å. Ni is bonded in a distorted bent 150 degrees geometry to two equivalent Al and two equivalent H atoms. Both Ni–Al bond lengths are 2.51 Å. Both Ni–H bond lengths are 1.70 Å. Al is bonded in a distorted linear geometry to six equivalent Ni and two equivalent H atoms. Both Al–H bond lengths are 2.00 Å. There are two inequivalent H sites. In the first H site, H is bonded to three equivalent Er and one Al atom to form a mixture of edge and corner-sharing HEr3Al tetrahedra. In the second H site, H is bonded to four equivalent Ni atoms to form distorted corner-sharing HNi4 tetrahedra.},
doi = {10.17188/1685903},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}