Materials Data on ThAsS by Materials Project
ThAsS is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Th4+ is bonded in a 9-coordinate geometry to four equivalent As2- and five equivalent S2- atoms. All Th–As bond lengths are 3.10 Å. There are four shorter (2.93 Å) and one longer (2.95 Å) Th–S bond lengths. As2- is bonded in a 8-coordinate geometry to four equivalent Th4+ and four equivalent As2- atoms. All As–As bond lengths are 2.85 Å. S2- is bonded to five equivalent Th4+ atoms to form a mixture of distorted edge and corner-sharing STh5 trigonal bipyramids.