Materials Data on Hg2H12C4I5N by Materials Project
Hg2I5N(CH3)4 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of eight tetramethylammonium molecules and two Hg2I5 sheets oriented in the (0, 0, 1) direction. In each Hg2I5 sheet, there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded to four I1- atoms to form distorted corner-sharing HgI4 trigonal pyramids. There are a spread of Hg–I bond distances ranging from 2.72–3.13 Å. In the second Hg2+ site, Hg2+ is bonded to four I1- atoms to form a mixture of edge and corner-sharing HgI4 tetrahedra. There are a spread of Hg–I bond distances ranging from 2.81–3.08 Å. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to two Hg2+ atoms. In the second I1- site, I1- is bonded in a single-bond geometry to one Hg2+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one Hg2+ atom. In the fourth I1- site, I1- is bonded in a water-like geometry to two Hg2+ atoms. In the fifth I1- site, I1- is bonded in an L-shaped geometry to two equivalent 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:
- 1277470
- Report Number(s):
- mp-605752
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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