Materials Data on Hg3(NO4)2 by Materials Project
Hg3(NO4)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are three inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 2-coordinate geometry to seven O2- atoms. There are a spread of Hg–O bond distances ranging from 2.11–2.94 Å. In the second Hg2+ site, Hg2+ is bonded to five O2- atoms to form distorted corner-sharing HgO5 trigonal bipyramids. There are a spread of Hg–O bond distances ranging from 2.09–2.78 Å. In the third Hg2+ site, Hg2+ is bonded in a 2-coordinate geometry to seven O2- atoms. There are a spread of Hg–O bond distances ranging from 2.12–2.96 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.26–1.28 Å. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.27 Å) and one longer (1.28 Å) N–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Hg2+ and one N5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Hg2+ and one N5+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to three Hg2+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two Hg2+ and one N5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three Hg2+ and one N5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Hg2+ and one N5+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two Hg2+ and one N5+ atom. In the eighth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Hg2+ atoms.
- 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:
- 1271002
- Report Number(s):
- mp-559722
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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