Materials Data on Tl10Hg3Cl16 by Materials Project
Tl10Hg3Cl16 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in an octahedral geometry to six Cl1- atoms. There are two shorter (2.37 Å) and four longer (3.11 Å) Hg–Cl bond lengths. In the second Hg2+ site, Hg2+ is bonded in a tetrahedral geometry to four equivalent Cl1- atoms. All Hg–Cl bond lengths are 2.54 Å. There are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.09–3.67 Å. In the second Tl1+ site, Tl1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.21–3.64 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Hg2+ and four equivalent Tl1+ atoms. In the second Cl1- site, Cl1- is bonded in a square pyramidal geometry to five Tl1+ atoms. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Hg2+ and five Tl1+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 7-coordinate geometry to one Hg2+ and six equivalent Tl1+ 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:
- 1276538
- Report Number(s):
- mp-573974
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Tl3Hg2S3ClO12 by Materials Project
Materials Data on Ag4Hg5S5IBrCl2 by Materials Project