U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LaNi4B by Materials Project
Abstract
LaNi4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 12-coordinate geometry to twelve equivalent Ni and six equivalent B atoms. All La–Ni bond lengths are 2.92 Å. All La–B bond lengths are 2.94 Å. In the second La site, La is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. All La–Ni bond lengths are 2.94 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent La and six equivalent Ni atoms. All Ni–Ni bond lengths are 2.53 Å. In the second Ni site, Ni is bonded in a distorted L-shaped geometry to two equivalent La, two equivalent Ni, and two equivalent B atoms. Both Ni–B bond lengths are 2.06 Å. B is bonded in a 6-coordinate geometry to three equivalent La and six equivalent Ni atoms.
- Publication Date:
- Other Number(s):
- mp-4634
- 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; B-La-Ni; LaNi4B; crystal structure
- OSTI Identifier:
- 1208303
- DOI:
- https://doi.org/10.17188/1208303
Citation Formats
Materials Data on LaNi4B by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1208303.
Materials Data on LaNi4B by Materials Project. United States. doi:https://doi.org/10.17188/1208303
2020.
"Materials Data on LaNi4B by Materials Project". United States. doi:https://doi.org/10.17188/1208303. https://www.osti.gov/servlets/purl/1208303. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1208303,
title = {Materials Data on LaNi4B by Materials Project},
abstractNote = {LaNi4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 12-coordinate geometry to twelve equivalent Ni and six equivalent B atoms. All La–Ni bond lengths are 2.92 Å. All La–B bond lengths are 2.94 Å. In the second La site, La is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. All La–Ni bond lengths are 2.94 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent La and six equivalent Ni atoms. All Ni–Ni bond lengths are 2.53 Å. In the second Ni site, Ni is bonded in a distorted L-shaped geometry to two equivalent La, two equivalent Ni, and two equivalent B atoms. Both Ni–B bond lengths are 2.06 Å. B is bonded in a 6-coordinate geometry to three equivalent La and six equivalent Ni atoms.},
doi = {10.17188/1208303},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}