Materials Data on TeS7Cl2 by Materials Project
TeS7Cl2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Te4+ is bonded in a see-saw-like geometry to two equivalent S+0.29- and two Cl1- atoms. Both Te–S bond lengths are 2.51 Å. There are one shorter (2.45 Å) and one longer (2.54 Å) Te–Cl bond lengths. There are four inequivalent S+0.29- sites. In the first S+0.29- site, S+0.29- is bonded in a 2-coordinate geometry to two S+0.29- and one Cl1- atom. There are one shorter (2.06 Å) and one longer (2.09 Å) S–S bond lengths. The S–Cl bond length is 3.87 Å. In the second S+0.29- site, S+0.29- is bonded in a 1-coordinate geometry to one Te4+, one S+0.29-, and one Cl1- atom. The S–S bond length is 2.01 Å. The S–Cl bond length is 3.23 Å. In the third S+0.29- site, S+0.29- is bonded in a distorted water-like geometry to two equivalent S+0.29- atoms. In the fourth S+0.29- site, S+0.29- is bonded in a 5-coordinate geometry to two S+0.29- and three Cl1- atoms. There are a spread of S–Cl bond distances ranging from 3.43–3.77 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Te4+ and six S+0.29- atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Te4+ and four equivalent S+0.29- 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:
- 1281753
- Report Number(s):
- mp-672186
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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