Materials Data on Hg7Cl2O3 by Materials Project
Hg7O3Cl2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are five inequivalent Hg+1.14+ sites. In the first Hg+1.14+ site, Hg+1.14+ is bonded in a 1-coordinate geometry to one Hg+1.14+, two equivalent O2-, and two Cl1- atoms. The Hg–Hg bond length is 2.63 Å. There are one shorter (2.18 Å) and one longer (2.76 Å) Hg–O bond lengths. There are one shorter (3.28 Å) and one longer (3.53 Å) Hg–Cl bond lengths. In the second Hg+1.14+ site, Hg+1.14+ is bonded in a distorted L-shaped geometry to one Hg+1.14+, two O2-, and one Cl1- atom. There are one shorter (2.28 Å) and one longer (2.45 Å) Hg–O bond lengths. The Hg–Cl bond length is 3.29 Å. In the third Hg+1.14+ site, Hg+1.14+ is bonded in a single-bond geometry to one O2- atom. The Hg–O bond length is 2.13 Å. In the fourth Hg+1.14+ site, Hg+1.14+ is bonded in a distorted L-shaped geometry to one O2- and one Cl1- atom. The Hg–O bond length is 2.38 Å. The Hg–Cl bond length is 2.52 Å. In the fifth Hg+1.14+ site, Hg+1.14+ is bonded in a distorted square co-planar geometry to two equivalent O2- and two equivalent Cl1- atoms. Both Hg–O bond lengths are 2.07 Å. Both Hg–Cl bond lengths are 3.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a tetrahedral geometry to four Hg+1.14+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four Hg+1.14+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three Hg+1.14+ atoms. In the second Cl1- site, Cl1- is bonded in a 6-coordinate geometry to six Hg+1.14+ 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:
- 1264994
- Report Number(s):
- mp-541193
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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