Materials Data on As2S2F3 by Materials Project
As2S2F3 crystallizes in the orthorhombic Pbcm space group. The structure is one-dimensional and consists of two As2S2F3 ribbons oriented in the (0, 0, 1) direction. there are three inequivalent As+3.50+ sites. In the first As+3.50+ site, As+3.50+ is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.20 Å) and one longer (2.42 Å) As–S bond lengths. In the second As+3.50+ site, As+3.50+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are two shorter (2.27 Å) and one longer (2.31 Å) As–S bond lengths. In the third As+3.50+ site, As+3.50+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.77–1.80 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent As+3.50+, one S2-, and one F1- atom. The S–S bond length is 2.01 Å. The S–F bond length is 3.00 Å. In the second S2- site, S2- is bonded in a 3-coordinate geometry to one As+3.50+, one S2-, and one F1- atom. The S–F bond length is 3.02 Å. In the third S2- site, S2- is bonded in a distorted water-like geometry to two As+3.50+ atoms. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As+3.50+ and one S2- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As+3.50+ and one S2- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As+3.50+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As+3.50+ atom.