Materials Data on U5(PbO11)2 by Materials Project

doi:10.17188/1751030

Title: Materials Data on U5(PbO11)2 by Materials Project

Dataset
Other Related Research

Abstract

U5(PbO11)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent U sites. In the first U site, U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share corners with three UO6 octahedra, edges with two UO6 octahedra, and an edgeedge with one UO7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 17–56°. There are a spread of U–O bond distances ranging from 1.87–2.47 Å. In the second U site, U is bonded to six O atoms to form distorted UO6 octahedra that share corners with three UO6 octahedra, corners with two equivalent UO7 pentagonal bipyramids, and an edgeedge with one UO7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 42–58°. There are a spread of U–O bond distances ranging from 1.89–2.25 Å. In the third U site, U is bonded to six O atoms to form UO6 octahedra that share corners with two equivalent UO6 octahedra, corners with two equivalent UO7 pentagonal bipyramids, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 42°. There are a spread of U–O bond distances ranging from 1.99–2.14 Å. Pb is bonded in a 6-coordinate geometrymore »« less

Publication Date:: 2020-04-29

Other Number(s):: mp-1203291

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; O-Pb-U; U5(PbO11)2; crystal structure

OSTI Identifier:: 1751030

DOI:: https://doi.org/10.17188/1751030

Citation Formats


                    Materials Data on U5(PbO11)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751030.

Copy to clipboard


                    Materials Data on U5(PbO11)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1751030

Copy to clipboard


                    2020.  
"Materials Data on U5(PbO11)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1751030.  https://www.osti.gov/servlets/purl/1751030. Pub date:Wed Apr 29 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1751030,

  title        = {Materials Data on U5(PbO11)2 by Materials Project},

  
  abstractNote = {U5(PbO11)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent U sites. In the first U site, U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share corners with three UO6 octahedra, edges with two UO6 octahedra, and an edgeedge with one UO7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 17–56°. There are a spread of U–O bond distances ranging from 1.87–2.47 Å. In the second U site, U is bonded to six O atoms to form distorted UO6 octahedra that share corners with three UO6 octahedra, corners with two equivalent UO7 pentagonal bipyramids, and an edgeedge with one UO7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 42–58°. There are a spread of U–O bond distances ranging from 1.89–2.25 Å. In the third U site, U is bonded to six O atoms to form UO6 octahedra that share corners with two equivalent UO6 octahedra, corners with two equivalent UO7 pentagonal bipyramids, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 42°. There are a spread of U–O bond distances ranging from 1.99–2.14 Å. Pb is bonded in a 6-coordinate geometry to five O atoms. There are a spread of Pb–O bond distances ranging from 2.08–2.39 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to three U atoms. In the second O site, O is bonded in a trigonal planar geometry to three U atoms. In the third O site, O is bonded in a distorted linear geometry to two U atoms. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one U and one Pb atom. In the fifth O site, O is bonded in a distorted trigonal planar geometry to three U atoms. In the sixth O site, O is bonded in a single-bond geometry to one U atom. In the seventh O site, O is bonded in a single-bond geometry to one Pb atom. In the eighth O site, O is bonded in a single-bond geometry to one U atom. In the ninth O site, O is bonded in a single-bond geometry to one Pb atom. In the tenth O site, O is bonded in a distorted bent 150 degrees geometry to one U and one Pb atom. In the eleventh O site, O is bonded in a bent 150 degrees geometry to one U and one Pb atom.},

  doi          = {10.17188/1751030},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1751030

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on U5(B12Mo5)2 by Materials Project

Dataset

U5(Mo5B12)2 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are three inequivalent U+3.20+ sites. In the first U+3.20+ site, U+3.20+ is bonded in a 11-coordinate geometry to fourteen B+1.50- atoms. There are a spread of U–B bond distances ranging from 2.61–2.84 Å. In the second U+3.20+ site, U+3.20+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of U–B bond distances ranging from 2.63–2.92 Å. In the third U+3.20+ site, U+3.20+ is bonded in a 8-coordinate geometry to thirteen B+1.50- atoms. There are a spread of U–B bond distances ranging frommore »« less
Materials Data on Sr2Cu(OF)2 by Materials Project

Dataset

Sr2Cu(OF)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Sr–O bond lengths are 2.66 Å. All Sr–F bond lengths are 2.50 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 2.00 Å. O2- is bonded to four equivalent Sr2+ and two equivalent Cu2+ atoms to form distorted OSr4Cu2 octahedra that share corners with two equivalent OSr4Cu2 octahedra, corners with twelve equivalent FSr4 tetrahedra, edges with two equivalent OSr4Cu2 octahedra,more »« less
Materials Data on Ce2C(NO)2 by Materials Project

Dataset

Ce2C(NO)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ce3+ is bonded in a 7-coordinate geometry to three equivalent N3- and four equivalent O2- atoms. All Ce–N bond lengths are 2.69 Å. There are three shorter (2.34 Å) and one longer (2.36 Å) Ce–O bond lengths. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. N3- is bonded in a 1-coordinate geometry to three equivalent Ce3+ and one C4+ atom. O2- is bonded to four equivalent Ce3+ atoms to form a mixture of edge and corner-sharing OCe4more » tetrahedra.« less
Materials Data on Be(PN2)2 by Materials Project

Dataset

BeP2N4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Be2+ is bonded to four N3- atoms to form BeN4 tetrahedra that share corners with eight PN4 tetrahedra. There are a spread of Be–N bond distances ranging from 1.73–1.76 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four N3- atoms to form PN4 tetrahedra that share corners with four equivalent BeN4 tetrahedra and corners with four PN4 tetrahedra. There is two shorter (1.64 Å) and two longer (1.65 Å) P–N bond length. In the second P5+ site, P5+ is bondedmore »« less
Materials Data on LiNb(OF)2 by Materials Project

Dataset

LiNb(OF)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to one O2- and four F1- atoms. The Li–O bond length is 2.22 Å. There are a spread of Li–F bond distances ranging from 1.95–2.27 Å. Nb5+ is bonded to four O2- and two F1- atoms to form distorted corner-sharing NbO4F2 octahedra. The corner-sharing octahedra tilt angles range from 37–43°. There are a spread of Nb–O bond distances ranging from 1.85–2.19 Å. There are one shorter (2.04 Å) and one longer (2.08 Å) Nb–F bond lengths. There are two inequivalent O2-more »« less

Similar Records