U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ag2Hg2(TeO4)3 by Materials Project
Abstract
Ag2Hg2(TeO4)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.38–2.89 Å. Hg2+ is bonded in a 2-coordinate geometry to five O2- atoms. There are a spread of Hg–O bond distances ranging from 2.10–2.85 Å. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Te–O bond distances ranging from 1.88–2.02 Å. In the second Te6+ site, Te6+ is bonded to six O2- atoms to form corner-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Te–O bond distances ranging from 1.96–2.00 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Ag1+, two equivalent Hg2+, and one Te6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ag1+ and two Te6+ atoms. In the third O2- site, O2- is bonded in a distorted trigonalmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-553949
- 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; Ag2Hg2(TeO4)3; Ag-Hg-O-Te
- OSTI Identifier:
- 1267652
- DOI:
- https://doi.org/10.17188/1267652
Citation Formats
The Materials Project. Materials Data on Ag2Hg2(TeO4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1267652.
The Materials Project. Materials Data on Ag2Hg2(TeO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1267652
The Materials Project. 2020.
"Materials Data on Ag2Hg2(TeO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1267652. https://www.osti.gov/servlets/purl/1267652. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1267652,
title = {Materials Data on Ag2Hg2(TeO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag2Hg2(TeO4)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.38–2.89 Å. Hg2+ is bonded in a 2-coordinate geometry to five O2- atoms. There are a spread of Hg–O bond distances ranging from 2.10–2.85 Å. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Te–O bond distances ranging from 1.88–2.02 Å. In the second Te6+ site, Te6+ is bonded to six O2- atoms to form corner-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Te–O bond distances ranging from 1.96–2.00 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Ag1+, two equivalent Hg2+, and one Te6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ag1+ and two Te6+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ag1+, one Hg2+, and one Te6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Te6+ atoms. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to one Ag1+, one Hg2+, and two equivalent Te6+ atoms. In the sixth O2- site, O2- is bonded to two equivalent Ag1+, one Hg2+, and one Te6+ atom to form distorted corner-sharing OAg2HgTe trigonal pyramids.},
doi = {10.17188/1267652},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}