U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Pr3Hg by Materials Project
Abstract
Pr3Hg is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to eight Pr and four equivalent Hg atoms to form distorted PrPr8Hg4 cuboctahedra that share corners with twelve equivalent PrPr8Hg4 cuboctahedra, edges with eight equivalent PrPr8Hg4 cuboctahedra, edges with eight equivalent HgPr12 cuboctahedra, faces with four equivalent HgPr12 cuboctahedra, and faces with ten equivalent PrPr8Hg4 cuboctahedra. There are four shorter (3.44 Å) and four longer (3.58 Å) Pr–Pr bond lengths. All Pr–Hg bond lengths are 3.58 Å. In the second Pr site, Pr is bonded in a square co-planar geometry to eight equivalent Pr and four equivalent Hg atoms. All Pr–Hg bond lengths are 3.44 Å. Hg is bonded to twelve Pr atoms to form HgPr12 cuboctahedra that share corners with four equivalent HgPr12 cuboctahedra, edges with eight equivalent HgPr12 cuboctahedra, edges with sixteen equivalent PrPr8Hg4 cuboctahedra, faces with four equivalent HgPr12 cuboctahedra, and faces with eight equivalent PrPr8Hg4 cuboctahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1186716
- 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; Pr3Hg; Hg-Pr
- OSTI Identifier:
- 1688238
- DOI:
- https://doi.org/10.17188/1688238
Citation Formats
The Materials Project. Materials Data on Pr3Hg by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1688238.
The Materials Project. Materials Data on Pr3Hg by Materials Project. United States. doi:https://doi.org/10.17188/1688238
The Materials Project. 2019.
"Materials Data on Pr3Hg by Materials Project". United States. doi:https://doi.org/10.17188/1688238. https://www.osti.gov/servlets/purl/1688238. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1688238,
title = {Materials Data on Pr3Hg by Materials Project},
author = {The Materials Project},
abstractNote = {Pr3Hg is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to eight Pr and four equivalent Hg atoms to form distorted PrPr8Hg4 cuboctahedra that share corners with twelve equivalent PrPr8Hg4 cuboctahedra, edges with eight equivalent PrPr8Hg4 cuboctahedra, edges with eight equivalent HgPr12 cuboctahedra, faces with four equivalent HgPr12 cuboctahedra, and faces with ten equivalent PrPr8Hg4 cuboctahedra. There are four shorter (3.44 Å) and four longer (3.58 Å) Pr–Pr bond lengths. All Pr–Hg bond lengths are 3.58 Å. In the second Pr site, Pr is bonded in a square co-planar geometry to eight equivalent Pr and four equivalent Hg atoms. All Pr–Hg bond lengths are 3.44 Å. Hg is bonded to twelve Pr atoms to form HgPr12 cuboctahedra that share corners with four equivalent HgPr12 cuboctahedra, edges with eight equivalent HgPr12 cuboctahedra, edges with sixteen equivalent PrPr8Hg4 cuboctahedra, faces with four equivalent HgPr12 cuboctahedra, and faces with eight equivalent PrPr8Hg4 cuboctahedra.},
doi = {10.17188/1688238},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}