U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LaNi5P3 by Materials Project
Abstract
LaNi5P3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La3+ is bonded in a 7-coordinate geometry to seven P3- atoms. There are a spread of La–P bond distances ranging from 3.08–3.26 Å. There are three inequivalent Ni+1.20+ sites. In the first Ni+1.20+ site, Ni+1.20+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.26–2.33 Å. In the second Ni+1.20+ site, Ni+1.20+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.17–2.39 Å. In the third Ni+1.20+ site, Ni+1.20+ is bonded in a square co-planar geometry to four equivalent P3- atoms. All Ni–P bond lengths are 2.32 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to three equivalent La3+ and six Ni+1.20+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent La3+ and seven Ni+1.20+ atoms.
- Publication Date:
- Other Number(s):
- mp-16958
- 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; La-Ni-P; LaNi5P3; crystal structure
- OSTI Identifier:
- 1192252
- DOI:
- https://doi.org/10.17188/1192252
Citation Formats
Materials Data on LaNi5P3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192252.
Materials Data on LaNi5P3 by Materials Project. United States. doi:https://doi.org/10.17188/1192252
2020.
"Materials Data on LaNi5P3 by Materials Project". United States. doi:https://doi.org/10.17188/1192252. https://www.osti.gov/servlets/purl/1192252. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1192252,
title = {Materials Data on LaNi5P3 by Materials Project},
abstractNote = {LaNi5P3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La3+ is bonded in a 7-coordinate geometry to seven P3- atoms. There are a spread of La–P bond distances ranging from 3.08–3.26 Å. There are three inequivalent Ni+1.20+ sites. In the first Ni+1.20+ site, Ni+1.20+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.26–2.33 Å. In the second Ni+1.20+ site, Ni+1.20+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.17–2.39 Å. In the third Ni+1.20+ site, Ni+1.20+ is bonded in a square co-planar geometry to four equivalent P3- atoms. All Ni–P bond lengths are 2.32 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to three equivalent La3+ and six Ni+1.20+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent La3+ and seven Ni+1.20+ atoms.},
doi = {10.17188/1192252},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}