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Title: Materials Data on Rb2U2O7 by Materials Project

Abstract

Rb2U2O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to six O2- atoms to form distorted RbO6 octahedra that share corners with three UO6 octahedra and edges with six RbO6 octahedra. The corner-sharing octahedra tilt angles range from 45–61°. There are a spread of Rb–O bond distances ranging from 2.79–3.10 Å. In the second Rb1+ site, Rb1+ is bonded to six O2- atoms to form distorted RbO6 octahedra that share corners with three UO6 octahedra and edges with six RbO6 octahedra. The corner-sharing octahedra tilt angles range from 56–58°. There are a spread of Rb–O bond distances ranging from 2.79–2.98 Å. There are three inequivalent U6+ sites. In the first U6+ site, U6+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 1.87–2.71 Å. In the second U6+ site, U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with two equivalent UO6 octahedra and corners with six RbO6 octahedra. The corner-sharing octahedra tilt angles range from 45–58°. There are two shorter (1.90 Å) and four longer (2.22more » Å) U–O bond lengths. In the third U6+ site, U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with two equivalent UO6 octahedra and corners with six RbO6 octahedra. The corner-sharing octahedra tilt angles range from 45–61°. There are two shorter (1.90 Å) and four longer (2.22 Å) U–O bond lengths. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one U6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three U6+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one U6+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to three U6+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one U6+ atom. In the sixth O2- site, O2- is bonded in a trigonal planar geometry to three U6+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one U6+ atom.« less

Publication Date:
Other Number(s):
mp-674373
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; Rb2U2O7; O-Rb-U
OSTI Identifier:
1282488
DOI:
10.17188/1282488

Citation Formats

The Materials Project. Materials Data on Rb2U2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282488.
The Materials Project. Materials Data on Rb2U2O7 by Materials Project. United States. doi:10.17188/1282488.
The Materials Project. 2020. "Materials Data on Rb2U2O7 by Materials Project". United States. doi:10.17188/1282488. https://www.osti.gov/servlets/purl/1282488. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1282488,
title = {Materials Data on Rb2U2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2U2O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to six O2- atoms to form distorted RbO6 octahedra that share corners with three UO6 octahedra and edges with six RbO6 octahedra. The corner-sharing octahedra tilt angles range from 45–61°. There are a spread of Rb–O bond distances ranging from 2.79–3.10 Å. In the second Rb1+ site, Rb1+ is bonded to six O2- atoms to form distorted RbO6 octahedra that share corners with three UO6 octahedra and edges with six RbO6 octahedra. The corner-sharing octahedra tilt angles range from 56–58°. There are a spread of Rb–O bond distances ranging from 2.79–2.98 Å. There are three inequivalent U6+ sites. In the first U6+ site, U6+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 1.87–2.71 Å. In the second U6+ site, U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with two equivalent UO6 octahedra and corners with six RbO6 octahedra. The corner-sharing octahedra tilt angles range from 45–58°. There are two shorter (1.90 Å) and four longer (2.22 Å) U–O bond lengths. In the third U6+ site, U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with two equivalent UO6 octahedra and corners with six RbO6 octahedra. The corner-sharing octahedra tilt angles range from 45–61°. There are two shorter (1.90 Å) and four longer (2.22 Å) U–O bond lengths. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one U6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three U6+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one U6+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to three U6+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one U6+ atom. In the sixth O2- site, O2- is bonded in a trigonal planar geometry to three U6+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one U6+ atom.},
doi = {10.17188/1282488},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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