Materials Data on Hg6MoAs4Cl7 by Materials Project
Abstract
MoHg6As4Cl7 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Mo6+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Mo–Cl bond lengths are 2.45 Å. Hg2+ is bonded in a 7-coordinate geometry to two As+2.75- and five Cl1- atoms. Both Hg–As bond lengths are 2.57 Å. There are a spread of Hg–Cl bond distances ranging from 3.21–3.51 Å. There are two inequivalent As+2.75- sites. In the first As+2.75- site, As+2.75- is bonded to three equivalent Hg2+ and one As+2.75- atom to form corner-sharing AsHg3As tetrahedra. The As–As bond length is 2.49 Å. In the second As+2.75- site, As+2.75- is bonded to three equivalent Hg2+ and one As+2.75- atom to form corner-sharing AsHg3As tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Mo6+ and four equivalent Hg2+ atoms. In the second Cl1- site, Cl1- is bonded in a 6-coordinate geometry to six equivalent Hg2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-568757
- 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; Hg6MoAs4Cl7; As-Cl-Hg-Mo
- OSTI Identifier:
- 1274678
- DOI:
- https://doi.org/10.17188/1274678
Citation Formats
The Materials Project. Materials Data on Hg6MoAs4Cl7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1274678.
The Materials Project. Materials Data on Hg6MoAs4Cl7 by Materials Project. United States. doi:https://doi.org/10.17188/1274678
The Materials Project. 2020.
"Materials Data on Hg6MoAs4Cl7 by Materials Project". United States. doi:https://doi.org/10.17188/1274678. https://www.osti.gov/servlets/purl/1274678. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1274678,
title = {Materials Data on Hg6MoAs4Cl7 by Materials Project},
author = {The Materials Project},
abstractNote = {MoHg6As4Cl7 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Mo6+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Mo–Cl bond lengths are 2.45 Å. Hg2+ is bonded in a 7-coordinate geometry to two As+2.75- and five Cl1- atoms. Both Hg–As bond lengths are 2.57 Å. There are a spread of Hg–Cl bond distances ranging from 3.21–3.51 Å. There are two inequivalent As+2.75- sites. In the first As+2.75- site, As+2.75- is bonded to three equivalent Hg2+ and one As+2.75- atom to form corner-sharing AsHg3As tetrahedra. The As–As bond length is 2.49 Å. In the second As+2.75- site, As+2.75- is bonded to three equivalent Hg2+ and one As+2.75- atom to form corner-sharing AsHg3As tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Mo6+ and four equivalent Hg2+ atoms. In the second Cl1- site, Cl1- is bonded in a 6-coordinate geometry to six equivalent Hg2+ atoms.},
doi = {10.17188/1274678},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}