U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on UTl2(TeO4)2 by Materials Project
Abstract
UTl2(TeO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 1.87–2.28 Å. There are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tl–O bond distances ranging from 2.68–3.29 Å. In the second Tl1+ site, Tl1+ is bonded in a 1-coordinate geometry to two O2- atoms. There are one shorter (2.47 Å) and one longer (2.90 Å) Tl–O bond lengths. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.87–2.70 Å. In the second Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.87–2.75 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two Tl1+ and one Te4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometrymore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-560464
- 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; UTl2(TeO4)2; O-Te-Tl-U
- OSTI Identifier:
- 1271496
- DOI:
- https://doi.org/10.17188/1271496
Citation Formats
The Materials Project. Materials Data on UTl2(TeO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1271496.
The Materials Project. Materials Data on UTl2(TeO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1271496
The Materials Project. 2020.
"Materials Data on UTl2(TeO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1271496. https://www.osti.gov/servlets/purl/1271496. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1271496,
title = {Materials Data on UTl2(TeO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {UTl2(TeO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 1.87–2.28 Å. There are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tl–O bond distances ranging from 2.68–3.29 Å. In the second Tl1+ site, Tl1+ is bonded in a 1-coordinate geometry to two O2- atoms. There are one shorter (2.47 Å) and one longer (2.90 Å) Tl–O bond lengths. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.87–2.70 Å. In the second Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.87–2.75 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two Tl1+ and one Te4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and two equivalent Tl1+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+, one Tl1+, and one Te4+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two Tl1+ and two equivalent Te4+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one U6+ and one Te4+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and one Te4+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+, two equivalent Tl1+, and one Te4+ atom.},
doi = {10.17188/1271496},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}