Materials Data on Hg9(AsO4)4 by Materials Project
Abstract
Hg9(AsO4)4 crystallizes in the trigonal R3c space group. The structure is three-dimensional. there are three inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Hg–O bond distances ranging from 2.21–2.87 Å. In the second Hg2+ site, Hg2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Hg–O bond distances ranging from 2.27–2.92 Å. In the third Hg2+ site, Hg2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.27–2.60 Å. There are two inequivalent As+3.50+ sites. In the first As+3.50+ site, As+3.50+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.72–1.75 Å. In the second As+3.50+ site, As+3.50+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.70 Å) and three longer (1.75 Å) As–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Hg2+ and one As+3.50+ atom. In the second O2- site, O2- is bonded inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-541164
- 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; Hg9(AsO4)4; As-Hg-O
- OSTI Identifier:
- 1264981
- DOI:
- https://doi.org/10.17188/1264981
Citation Formats
The Materials Project. Materials Data on Hg9(AsO4)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1264981.
The Materials Project. Materials Data on Hg9(AsO4)4 by Materials Project. United States. doi:https://doi.org/10.17188/1264981
The Materials Project. 2020.
"Materials Data on Hg9(AsO4)4 by Materials Project". United States. doi:https://doi.org/10.17188/1264981. https://www.osti.gov/servlets/purl/1264981. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1264981,
title = {Materials Data on Hg9(AsO4)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Hg9(AsO4)4 crystallizes in the trigonal R3c space group. The structure is three-dimensional. there are three inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Hg–O bond distances ranging from 2.21–2.87 Å. In the second Hg2+ site, Hg2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Hg–O bond distances ranging from 2.27–2.92 Å. In the third Hg2+ site, Hg2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.27–2.60 Å. There are two inequivalent As+3.50+ sites. In the first As+3.50+ site, As+3.50+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.72–1.75 Å. In the second As+3.50+ site, As+3.50+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.70 Å) and three longer (1.75 Å) As–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Hg2+ and one As+3.50+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Hg2+ and one As+3.50+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Hg2+ and one As+3.50+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Hg2+ and one As+3.50+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two Hg2+ and one As+3.50+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Hg2+ and one As+3.50+ atom.},
doi = {10.17188/1264981},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}