U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Rb2U3(TeO7)2 by Materials Project
Abstract
Rb2U3(TeO7)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.90–3.08 Å. There are two inequivalent U6+ sites. In the first U6+ site, U6+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing UO6 octahedra. There are a spread of U–O bond distances ranging from 1.85–2.34 Å. In the second U6+ site, U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share a cornercorner with one UO6 octahedra, an edgeedge with one UO6 octahedra, and an edgeedge with one UO7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 47°. There are a spread of U–O bond distances ranging from 1.84–2.49 Å. Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There is one shorter (1.89 Å) and two longer (1.91 Å) Te–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two U6+ and one Te4+ atom. In the second O2- site, O2- is bonded in a linear geometry tomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-542501
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Rb2U3(TeO7)2; O-Rb-Te-U
- OSTI Identifier:
- 1266560
- DOI:
- https://doi.org/10.17188/1266560
Citation Formats
The Materials Project. Materials Data on Rb2U3(TeO7)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1266560.
The Materials Project. Materials Data on Rb2U3(TeO7)2 by Materials Project. United States. doi:https://doi.org/10.17188/1266560
The Materials Project. 2020.
"Materials Data on Rb2U3(TeO7)2 by Materials Project". United States. doi:https://doi.org/10.17188/1266560. https://www.osti.gov/servlets/purl/1266560. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1266560,
title = {Materials Data on Rb2U3(TeO7)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2U3(TeO7)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.90–3.08 Å. There are two inequivalent U6+ sites. In the first U6+ site, U6+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing UO6 octahedra. There are a spread of U–O bond distances ranging from 1.85–2.34 Å. In the second U6+ site, U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share a cornercorner with one UO6 octahedra, an edgeedge with one UO6 octahedra, and an edgeedge with one UO7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 47°. There are a spread of U–O bond distances ranging from 1.84–2.49 Å. Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There is one shorter (1.89 Å) and two longer (1.91 Å) Te–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two U6+ and one Te4+ atom. In the second O2- site, O2- is bonded in a linear geometry to one U6+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, one U6+, and one Te4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to three U6+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one U6+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one U6+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one U6+ atom.},
doi = {10.17188/1266560},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}