Materials Data on S by Materials Project

Abstract

S is alpha-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight S clusters. In four of the S clusters, there are thirteen inequivalent S sites. In the first S site, S is bonded in a water-like geometry to two S atoms. There are one shorter (2.00 Å) and one longer (2.12 Å) S–S bond lengths. In the second S site, S is bonded in a water-like geometry to two S atoms. There are one shorter (2.00 Å) and one longer (2.18 Å) S–S bond lengths. In the third S site, S is bonded in a water-like geometry to two S atoms. There are one shorter (2.06 Å) and one longer (2.08 Å) S–S bond lengths. In the fourth S site, S is bonded in a water-like geometry to two S atoms. There are one shorter (2.06 Å) and one longer (2.07 Å) S–S bond lengths. 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. The S–S bond length is 2.11 Å. In the seventh S site, S is bonded in a water-like geometry to two S atoms. There are one shorter (2.05 Å) and one longer (2.07 Å) S–S bond lengths. In the eighth S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.06 Å. In the ninth S site, S is bonded in a water-like geometry to two S atoms. In the tenth S site, S is bonded in a water-like geometry to two S atoms. In the eleventh S site, S is bonded in a water-like geometry to two S atoms. In the twelfth S site, S is bonded in a water-like geometry to two S atoms. In the thirteenth S site, S is bonded in a water-like geometry to two S atoms. In four of the S clusters, there are thirteen inequivalent S sites. In the first S site, S is bonded in a water-like geometry to two S atoms. There are one shorter (1.99 Å) and one longer (2.13 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 2.04 Å. In the third S site, S is bonded in a water-like geometry to two S atoms. There are one shorter (2.06 Å) and one longer (2.07 Å) S–S bond lengths. In the fourth S site, S is bonded in a water-like geometry to two S atoms. There are one shorter (2.06 Å) and one longer (2.08 Å) S–S bond lengths. In the fifth S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.07 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. In the eighth S site, S is bonded in a water-like geometry to two S atoms. There are one shorter (1.99 Å) and one longer (2.19 Å) S–S bond lengths. In the ninth S site, S is bonded in a water-like geometry to two S atoms. In the tenth S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.07 Å. In the eleventh 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 twelfth 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 thirteenth S site, S is bonded in a water-like geometry to two S atoms.