Materials Data on Cs2U3(TeO7)2 by Materials Project
Abstract
Cs2U3(TeO7)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 3.05–3.36 Å. There are two inequivalent U6+ sites. In the first 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 1.84–2.51 Å. In the second 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. Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–1.91 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one U6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry tomore »
- Authors:
- Contributors:
-
Researcher:
- Publication Date:
- 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)
- Contributing Org.:
- MIT; UC Berkeley; Duke; U Louvain
- OSTI Identifier:
- 1272337
- Report Number(s):
- mp-562366
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Resource Type:
- Data
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; Cs2U3(TeO7)2; Cs-O-Te-U
Citation Formats
Persson, Kristin, and Project, Materials. Materials Data on Cs2U3(TeO7)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1272337.
Persson, Kristin, & Project, Materials. Materials Data on Cs2U3(TeO7)2 by Materials Project. United States. https://doi.org/10.17188/1272337
Persson, Kristin, and Project, Materials. Wed .
"Materials Data on Cs2U3(TeO7)2 by Materials Project". United States. https://doi.org/10.17188/1272337. https://www.osti.gov/servlets/purl/1272337.
@article{osti_1272337,
title = {Materials Data on Cs2U3(TeO7)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Cs2U3(TeO7)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 3.05–3.36 Å. There are two inequivalent U6+ sites. In the first 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 1.84–2.51 Å. In the second 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. Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–1.91 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one U6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two U6+ and one Te4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Cs1+ and one U6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one U6+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Cs1+, one U6+, and one Te4+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to three U6+ atoms. In the seventh O2- site, O2- is bonded in a linear geometry to one U6+ and one Te4+ atom.},
doi = {10.17188/1272337},
url = {https://www.osti.gov/biblio/1272337},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}