Materials Data on As3H12C4S5N by Materials Project

Abstract

N(CH3)4As3S5 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of four tetramethylammonium molecules and one As3S5 ribbon oriented in the (0, 1, 0) direction. In the As3S5 ribbon, there are six inequivalent As3- sites. In the first As3- site, As3- is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.29–2.31 Å. In the second As3- site, As3- is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.29–2.32 Å. In the third As3- site, As3- is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.22–2.34 Å. In the fourth As3- site, As3- is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.19–2.34 Å. In the fifth As3- site, As3- is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.28–2.33 Å. In the sixth As3- site, As3- is bonded in a see-saw-like geometry to four S2- atoms. There are a spread of As–S bond distances ranging from 2.24–2.69 Å. There are ten inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two As3- atoms. In the second S2- site, S2- is bonded in a water-like geometry to two As3- atoms. In the third S2- site, S2- is bonded in a water-like geometry to two As3- atoms. In the fourth S2- site, S2- is bonded in an L-shaped geometry to two As3- atoms. In the fifth S2- site, S2- is bonded in a water-like geometry to two As3- atoms. In the sixth S2- site, S2- is bonded in a water-like geometry to two As3- atoms. In the seventh S2- site, S2- is bonded in a water-like geometry to two As3- atoms. In the eighth S2- site, S2- is bonded in a single-bond geometry to one As3- atom. In the ninth S2- site, S2- is bonded in a water-like geometry to two As3- atoms. In the tenth S2- site, S2- is bonded in an L-shaped geometry to two equivalent As3- atoms.