U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zr2NiP by Materials Project
Abstract
Zr2NiP is delta Molybdenum Boride-derived structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 7-coordinate geometry to three equivalent Ni and four equivalent P atoms. There are two shorter (2.73 Å) and one longer (2.88 Å) Zr–Ni bond lengths. There are a spread of Zr–P bond distances ranging from 2.72–2.84 Å. In the second Zr site, Zr is bonded in a 7-coordinate geometry to four equivalent Ni and three equivalent P atoms. There are a spread of Zr–Ni bond distances ranging from 2.69–2.83 Å. There are two shorter (2.74 Å) and one longer (2.85 Å) Zr–P bond lengths. Ni is bonded in a 9-coordinate geometry to seven Zr and two equivalent P atoms. Both Ni–P bond lengths are 2.31 Å. P is bonded in a 9-coordinate geometry to seven Zr and two equivalent Ni atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-29153
- 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; Zr2NiP; Ni-P-Zr
- OSTI Identifier:
- 1203281
- DOI:
- https://doi.org/10.17188/1203281
Citation Formats
The Materials Project. Materials Data on Zr2NiP by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1203281.
The Materials Project. Materials Data on Zr2NiP by Materials Project. United States. doi:https://doi.org/10.17188/1203281
The Materials Project. 2020.
"Materials Data on Zr2NiP by Materials Project". United States. doi:https://doi.org/10.17188/1203281. https://www.osti.gov/servlets/purl/1203281. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1203281,
title = {Materials Data on Zr2NiP by Materials Project},
author = {The Materials Project},
abstractNote = {Zr2NiP is delta Molybdenum Boride-derived structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 7-coordinate geometry to three equivalent Ni and four equivalent P atoms. There are two shorter (2.73 Å) and one longer (2.88 Å) Zr–Ni bond lengths. There are a spread of Zr–P bond distances ranging from 2.72–2.84 Å. In the second Zr site, Zr is bonded in a 7-coordinate geometry to four equivalent Ni and three equivalent P atoms. There are a spread of Zr–Ni bond distances ranging from 2.69–2.83 Å. There are two shorter (2.74 Å) and one longer (2.85 Å) Zr–P bond lengths. Ni is bonded in a 9-coordinate geometry to seven Zr and two equivalent P atoms. Both Ni–P bond lengths are 2.31 Å. P is bonded in a 9-coordinate geometry to seven Zr and two equivalent Ni atoms.},
doi = {10.17188/1203281},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}