DOI: 10.17188/1718639
title: Materials Data on Cd3S3O20 by Materials Project

description: (CdSO4)3(O2)4 crystallizes in the triclinic P1 space group. The structure is three-dimensional and consists of eight hydrogen peroxide molecules and one CdSO4 framework. In the CdSO4 framework, there are six inequivalent Cd sites. In the first Cd site, Cd is bonded to four O atoms to form distorted CdO4 tetrahedra that share corners with four SO4 tetrahedra. There are two shorter (2.17 Å) and two longer (2.21 Å) Cd–O bond lengths. In the second Cd site, Cd is bonded to four O atoms to form distorted CdO4 trigonal pyramids that share corners with four SO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.17–2.22 Å. In the third Cd site, Cd is bonded to four O atoms to form distorted CdO4 tetrahedra that share corners with four SO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.19–2.21 Å. In the fourth Cd site, Cd is bonded to four O atoms to form distorted CdO4 tetrahedra that share corners with four SO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.19–2.21 Å. In the fifth Cd site, Cd is bonded to four O atoms to form distorted CdO4 tetrahedra that share corners with four SO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.19–2.22 Å. In the sixth Cd site, Cd is bonded to four O atoms to form distorted CdO4 tetrahedra that share corners with four SO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.19–2.23 Å. There are six inequivalent S sites. In the first S site, S is bonded to four O atoms to form SO4 tetrahedra that share corners with four CdO4 tetrahedra. All S–O bond lengths are 1.49 Å. In the second S site, S is bonded to four O atoms to form SO4 tetrahedra that share corners with four CdO4 tetrahedra. There is one shorter (1.48 Å) and three longer (1.49 Å) S–O bond length. In the third S site, S is bonded to four O atoms to form SO4 tetrahedra that share corners with three CdO4 tetrahedra and a cornercorner with one CdO4 trigonal pyramid. There is two shorter (1.48 Å) and two longer (1.49 Å) S–O bond length. In the fourth S site, S is bonded to four O atoms to form SO4 tetrahedra that share corners with three CdO4 tetrahedra and a cornercorner with one CdO4 trigonal pyramid. There is one shorter (1.48 Å) and three longer (1.49 Å) S–O bond length. In the fifth S site, S is bonded to four O atoms to form SO4 tetrahedra that share corners with three CdO4 tetrahedra and a cornercorner with one CdO4 trigonal pyramid. There is two shorter (1.48 Å) and two longer (1.49 Å) S–O bond length. In the sixth S site, S is bonded to four O atoms to form SO4 tetrahedra that share corners with three CdO4 tetrahedra and a cornercorner with one CdO4 trigonal pyramid. There is one shorter (1.48 Å) and three longer (1.49 Å) S–O bond length. There are twenty-four inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Cd and one S atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Cd and one S atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Cd and one S atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Cd and one S atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one Cd and one S atom. In the sixth O site, O is bonded in a distorted bent 150 degrees geometry to one Cd and one S atom. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one Cd and one S atom. In the eighth O site, O is bonded in a distorted bent 150 degrees geometry to one Cd and one S atom. In the ninth O site, O is bonded in a bent 150 degrees geometry to one Cd and one S atom. In the tenth O site, O is bonded in a bent 150 degrees geometry to one Cd and one S atom. In the eleventh O site, O is bonded in a bent 150 degrees geometry to one Cd and one S atom. In the twelfth O site, O is bonded in a bent 150 degrees geometry to one Cd and one S atom. In the thirteenth O site, O is bonded in a distorted bent 120 degrees geometry to one Cd and one S atom. In the fourteenth O site, O is bonded in a distorted bent 120 degrees geometry to one Cd and one S atom. In the fifteenth O site, O is bonded in a distorted bent 150 degrees geometry to one Cd and one S atom. In the sixteenth O site, O is bonded in a distorted bent 150 degrees geometry to one Cd and one S atom. In the seventeenth O site, O is bonded in a distorted bent 150 degrees geometry to one Cd and one S atom. In the eighteenth O site, O is bonded in a distorted bent 150 degrees geometry to one Cd and one S atom. In the nineteenth O site, O is bonded in a distorted bent 150 degrees geometry to one Cd and one S atom. In the twentieth O site, O is bonded in a distorted bent 150 degrees geometry to one Cd and one S atom. In the twenty-first O site, O is bonded in a distorted linear geometry to one Cd and one S atom. In the twenty-second O site, O is bonded in a distorted bent 150 degrees geometry to one Cd and one S atom. In the twenty-third O site, O is bonded in a distorted bent 150 degrees geometry to one Cd and one S atom. In the twenty-fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Cd and one S atom.