Materials Data on S by Materials Project

Abstract

S is red selenium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four heptasulfur molecules. there are seven inequivalent S sites. In the first S site, S is bonded in a water-like geometry to two S atoms. There are one shorter (1.98 Å) and one longer (2.14 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. There are one shorter (1.98 Å) and one longer (2.14 Å) S–S bond lengths. In the fourth S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.23 Å. In the fifth 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 sixth S site, S is bonded in a water-like geometry to two S atoms. In the seventh S site, S is bonded in a water-like geometry to two S atoms.