U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PrSiNi by Materials Project
Abstract
PrNiSi crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Pr3+ is bonded to six Si4- atoms to form a mixture of distorted face, edge, and corner-sharing PrSi6 pentagonal pyramids. There are two shorter (3.15 Å) and four longer (3.16 Å) Pr–Si bond lengths. Ni1+ is bonded in a trigonal planar geometry to three Si4- atoms. All Ni–Si bond lengths are 2.37 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Pr3+ and three equivalent Ni1+ atoms. There are two shorter (3.15 Å) and four longer (3.16 Å) Si–Pr bond lengths. All Si–Ni bond lengths are 2.37 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Pr3+ and three equivalent Ni1+ atoms. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Pr3+ and three equivalent Ni1+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1206335
- 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; PrSiNi; Ni-Pr-Si
- OSTI Identifier:
- 1708623
- DOI:
- https://doi.org/10.17188/1708623
Citation Formats
The Materials Project. Materials Data on PrSiNi by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1708623.
The Materials Project. Materials Data on PrSiNi by Materials Project. United States. doi:https://doi.org/10.17188/1708623
The Materials Project. 2020.
"Materials Data on PrSiNi by Materials Project". United States. doi:https://doi.org/10.17188/1708623. https://www.osti.gov/servlets/purl/1708623. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1708623,
title = {Materials Data on PrSiNi by Materials Project},
author = {The Materials Project},
abstractNote = {PrNiSi crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Pr3+ is bonded to six Si4- atoms to form a mixture of distorted face, edge, and corner-sharing PrSi6 pentagonal pyramids. There are two shorter (3.15 Å) and four longer (3.16 Å) Pr–Si bond lengths. Ni1+ is bonded in a trigonal planar geometry to three Si4- atoms. All Ni–Si bond lengths are 2.37 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Pr3+ and three equivalent Ni1+ atoms. There are two shorter (3.15 Å) and four longer (3.16 Å) Si–Pr bond lengths. All Si–Ni bond lengths are 2.37 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Pr3+ and three equivalent Ni1+ atoms. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Pr3+ and three equivalent Ni1+ atoms.},
doi = {10.17188/1708623},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}