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Title: Materials Data on U2P2O9 by Materials Project

Abstract

U2O(PO4)2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. U4+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share a cornercorner with one UO7 pentagonal bipyramid, corners with four equivalent PO4 tetrahedra, edges with two equivalent UO7 pentagonal bipyramids, and an edgeedge with one PO4 tetrahedra. There are a spread of U–O bond distances ranging from 2.09–2.52 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent UO7 pentagonal bipyramids and an edgeedge with one UO7 pentagonal bipyramid. There are a spread of P–O bond distances ranging from 1.52–1.57 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one U4+ and one P5+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent U4+ atoms. In the third O2- site, O2- is bonded in a linear geometry to one U4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent U4+ and one P5+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-4049
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; U2P2O9; O-P-U
OSTI Identifier:
1207796
DOI:
10.17188/1207796

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on U2P2O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207796.
Persson, Kristin, & Project, Materials. Materials Data on U2P2O9 by Materials Project. United States. doi:10.17188/1207796.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on U2P2O9 by Materials Project". United States. doi:10.17188/1207796. https://www.osti.gov/servlets/purl/1207796. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1207796,
title = {Materials Data on U2P2O9 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {U2O(PO4)2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. U4+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share a cornercorner with one UO7 pentagonal bipyramid, corners with four equivalent PO4 tetrahedra, edges with two equivalent UO7 pentagonal bipyramids, and an edgeedge with one PO4 tetrahedra. There are a spread of U–O bond distances ranging from 2.09–2.52 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent UO7 pentagonal bipyramids and an edgeedge with one UO7 pentagonal bipyramid. There are a spread of P–O bond distances ranging from 1.52–1.57 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one U4+ and one P5+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent U4+ atoms. In the third O2- site, O2- is bonded in a linear geometry to one U4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent U4+ and one P5+ atom.},
doi = {10.17188/1207796},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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