U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Pr2UP3 by Materials Project
Abstract
UPr2P3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. U3+ is bonded to six P3- atoms to form UP6 octahedra that share corners with two equivalent UP6 octahedra, corners with four equivalent PrP6 octahedra, edges with two equivalent UP6 octahedra, and edges with ten equivalent PrP6 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are four shorter (2.80 Å) and two longer (2.91 Å) U–P bond lengths. Pr3+ is bonded to six P3- atoms to form PrP6 octahedra that share corners with two equivalent UP6 octahedra, corners with four equivalent PrP6 octahedra, edges with five equivalent UP6 octahedra, and edges with seven equivalent PrP6 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. There are a spread of Pr–P bond distances ranging from 2.91–3.01 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to two equivalent U3+ and four equivalent Pr3+ atoms to form a mixture of edge and corner-sharing PPr4U2 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the second P3- site, P3- is bonded to two equivalent U3+ and four equivalent Pr3+ atoms to form a mixture of edge and corner-sharingmore »
- Publication Date:
- Other Number(s):
- mp-1219900
- 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; P-Pr-U; Pr2UP3; crystal structure
- OSTI Identifier:
- 1746826
- DOI:
- https://doi.org/10.17188/1746826
Citation Formats
Materials Data on Pr2UP3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1746826.
Materials Data on Pr2UP3 by Materials Project. United States. doi:https://doi.org/10.17188/1746826
2020.
"Materials Data on Pr2UP3 by Materials Project". United States. doi:https://doi.org/10.17188/1746826. https://www.osti.gov/servlets/purl/1746826. Pub date:Tue May 05 04:00:00 UTC 2020
@article{osti_1746826,
title = {Materials Data on Pr2UP3 by Materials Project},
abstractNote = {UPr2P3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. U3+ is bonded to six P3- atoms to form UP6 octahedra that share corners with two equivalent UP6 octahedra, corners with four equivalent PrP6 octahedra, edges with two equivalent UP6 octahedra, and edges with ten equivalent PrP6 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are four shorter (2.80 Å) and two longer (2.91 Å) U–P bond lengths. Pr3+ is bonded to six P3- atoms to form PrP6 octahedra that share corners with two equivalent UP6 octahedra, corners with four equivalent PrP6 octahedra, edges with five equivalent UP6 octahedra, and edges with seven equivalent PrP6 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. There are a spread of Pr–P bond distances ranging from 2.91–3.01 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to two equivalent U3+ and four equivalent Pr3+ atoms to form a mixture of edge and corner-sharing PPr4U2 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the second P3- site, P3- is bonded to two equivalent U3+ and four equivalent Pr3+ atoms to form a mixture of edge and corner-sharing PPr4U2 octahedra. The corner-sharing octahedra tilt angles range from 0–7°.},
doi = {10.17188/1746826},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}