Materials Data on AgSb(S8F3)2 by Materials Project
AgSb(S8F3)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two AgSb(S8F3)2 ribbons oriented in the (0, 0, 1) direction. Ag1+ is bonded in a 6-coordinate geometry to four S and two equivalent F1- atoms. There are two shorter (2.73 Å) and two longer (2.81 Å) Ag–S bond lengths. Both Ag–F bond lengths are 3.19 Å. Sb5+ is bonded in an octahedral geometry to six F1- atoms. There is four shorter (1.92 Å) and two longer (1.93 Å) Sb–F bond length. There are eight inequivalent S sites. In the first S site, S is bonded in a water-like geometry to two S atoms. There are one shorter (2.06 Å) and one longer (2.07 Å) S–S bond lengths. In the second S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.05 Å. In the third S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.05 Å. In the fourth S site, S is bonded in a water-like geometry to two S atoms. There are one shorter (2.06 Å) and one longer (2.07 Å) S–S bond lengths. In the fifth S site, S is bonded in a trigonal non-coplanar geometry to one Ag1+ and two S atoms. The S–S bond length is 2.08 Å. In the sixth S site, S is bonded in a trigonal non-coplanar geometry to one Ag1+ and two S atoms. The S–S bond length is 2.07 Å. In the seventh S site, S is bonded in a water-like geometry to two S atoms. In the eighth S site, S is bonded in a water-like geometry to two S atoms. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Ag1+ and one Sb5+ atom.
- 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:
- 1270940
- Report Number(s):
- mp-559602
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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