Materials Data on Hg3AsO4 by Materials Project
Hg3AsO4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two Hg3AsO4 sheets oriented in the (0, 0, 1) direction. there are three inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.22–2.67 Å. In the second 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 2.23–2.76 Å. In the third Hg2+ site, Hg2+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.23–2.77 Å. As2+ 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. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Hg2+ and one As2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Hg2+ and one As2+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Hg2+ and one As2+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Hg2+ and one As2+ atom.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1208157
- Report Number(s):
- mp-4445
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Hg9(AsO4)4 by Materials Project
Materials Data on Sm4AlSi5(NO)7 by Materials Project