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Title: 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 » PPr4U2 octahedra. The corner-sharing octahedra tilt angles range from 0–7°.« less

Publication Date:
Other Number(s):
mp-1219900
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Pr2UP3; P-Pr-U
OSTI Identifier:
1746826
DOI:
https://doi.org/10.17188/1746826

Citation Formats

The Materials Project. Materials Data on Pr2UP3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746826.
The Materials Project. Materials Data on Pr2UP3 by Materials Project. United States. doi:https://doi.org/10.17188/1746826
The Materials Project. 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 00:00:00 EDT 2020
@article{osti_1746826,
title = {Materials Data on Pr2UP3 by Materials Project},
author = {The 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}
}