Materials Data on GdTl(WO4)2 by Materials Project
Abstract
GdTl(WO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Gd3+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.33–2.84 Å. W6+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are a spread of W–O bond distances ranging from 1.84–2.16 Å. Tl1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Tl–O bond distances ranging from 2.92–3.17 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent W6+ and two equivalent Tl1+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Gd3+, one W6+, and one Tl1+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Gd3+, two equivalent W6+, and one Tl1+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Gd3+, one W6+, and one Tl1+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1212540
- 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; GdTl(WO4)2; Gd-O-Tl-W
- OSTI Identifier:
- 1715201
- DOI:
- https://doi.org/10.17188/1715201
Citation Formats
The Materials Project. Materials Data on GdTl(WO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1715201.
The Materials Project. Materials Data on GdTl(WO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1715201
The Materials Project. 2020.
"Materials Data on GdTl(WO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1715201. https://www.osti.gov/servlets/purl/1715201. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1715201,
title = {Materials Data on GdTl(WO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {GdTl(WO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Gd3+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.33–2.84 Å. W6+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are a spread of W–O bond distances ranging from 1.84–2.16 Å. Tl1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Tl–O bond distances ranging from 2.92–3.17 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent W6+ and two equivalent Tl1+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Gd3+, one W6+, and one Tl1+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Gd3+, two equivalent W6+, and one Tl1+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Gd3+, one W6+, and one Tl1+ atom.},
doi = {10.17188/1715201},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}