Materials Data on BaS4O by Materials Project

BaS4O crystallizes in the orthorhombic P2_12_12 space group. The structure is one-dimensional and consists of two BaS4O ribbons oriented in the (0, 1, 0) direction. Ba2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both Ba–O bond lengths are 2.57 Å. There are four inequivalent S sites. In the first S site, S is bonded in a distorted water-like geometry to one S and one O2- atom. The S–S bond length is 2.03 Å. The S–O bond length is 2.56 Å. In the second S site, S is bonded in a distorted water-like geometry to one S and one O2- atom. The S–S bond length is 2.03 Å. The S–O bond length is 2.55 Å. In the third S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.12 Å. In the fourth S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Ba2+ and two equivalent S atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba2+ and two equivalent S atoms.