U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ag2Hg7(As2I3)2 by Materials Project
Abstract
Ag2Hg7(As2I3)2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Ag1+ is bonded in a trigonal planar geometry to three equivalent I1- atoms. All Ag–I bond lengths are 2.75 Å. There are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a linear geometry to two equivalent As+2.50- atoms. Both Hg–As bond lengths are 2.58 Å. In the second Hg2+ site, Hg2+ is bonded in a 6-coordinate geometry to two As+2.50- and four equivalent I1- atoms. There are one shorter (2.59 Å) and one longer (2.61 Å) Hg–As bond lengths. There are a spread of Hg–I bond distances ranging from 3.29–3.82 Å. There are two inequivalent As+2.50- sites. In the first As+2.50- site, As+2.50- is bonded to three equivalent Hg2+ and one As+2.50- atom to form corner-sharing AsHg3As tetrahedra. The As–As bond length is 2.46 Å. In the second As+2.50- site, As+2.50- is bonded to four Hg2+ atoms to form corner-sharing AsHg4 tetrahedra. I1- is bonded in a 1-coordinate geometry to one Ag1+ and four equivalent Hg2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-23592
- 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; Ag2Hg7(As2I3)2; Ag-As-Hg-I
- OSTI Identifier:
- 1199610
- DOI:
- https://doi.org/10.17188/1199610
Citation Formats
The Materials Project. Materials Data on Ag2Hg7(As2I3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199610.
The Materials Project. Materials Data on Ag2Hg7(As2I3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1199610
The Materials Project. 2020.
"Materials Data on Ag2Hg7(As2I3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1199610. https://www.osti.gov/servlets/purl/1199610. Pub date:Fri May 29 00:00:00 EDT 2020
@article{osti_1199610,
title = {Materials Data on Ag2Hg7(As2I3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag2Hg7(As2I3)2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Ag1+ is bonded in a trigonal planar geometry to three equivalent I1- atoms. All Ag–I bond lengths are 2.75 Å. There are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a linear geometry to two equivalent As+2.50- atoms. Both Hg–As bond lengths are 2.58 Å. In the second Hg2+ site, Hg2+ is bonded in a 6-coordinate geometry to two As+2.50- and four equivalent I1- atoms. There are one shorter (2.59 Å) and one longer (2.61 Å) Hg–As bond lengths. There are a spread of Hg–I bond distances ranging from 3.29–3.82 Å. There are two inequivalent As+2.50- sites. In the first As+2.50- site, As+2.50- is bonded to three equivalent Hg2+ and one As+2.50- atom to form corner-sharing AsHg3As tetrahedra. The As–As bond length is 2.46 Å. In the second As+2.50- site, As+2.50- is bonded to four Hg2+ atoms to form corner-sharing AsHg4 tetrahedra. I1- is bonded in a 1-coordinate geometry to one Ag1+ and four equivalent Hg2+ atoms.},
doi = {10.17188/1199610},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}