DOI: 10.17188/1284290
title: Materials Data on Cu23(Sb4S13)2 by Materials Project

description: Cu23(Sb4S13)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are sixty-nine inequivalent Cu+1.04+ sites. In the first Cu+1.04+ site, Cu+1.04+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are one shorter (2.25 Å) and two longer (2.26 Å) Cu–S bond lengths. In the second Cu+1.04+ site, Cu+1.04+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.25–2.27 Å. In the third Cu+1.04+ site, Cu+1.04+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.32 Å) Cu–S bond lengths. In the fourth Cu+1.04+ site, Cu+1.04+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are three shorter (2.31 Å) and one longer (2.32 Å) Cu–S bond lengths. In the fifth Cu+1.04+ site, Cu+1.04+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are two shorter (2.25 Å) and one longer (2.28 Å) Cu–S bond lengths. In the sixth Cu+1.04+ site, Cu+1.04+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.25–2.27 Å. In the seventh Cu+1.04+ site, Cu+1.04+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.32 Å) Cu–S bond lengths. In the eighth Cu+1.04+ site, Cu+1.04+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.32 Å) Cu–S bond lengths. In the ninth Cu+1.04+ site, Cu+1.04+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.32 Å) Cu–S bond lengths. In the tenth Cu+1.04+ site, Cu+1.04+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.32 Å) Cu–S bond lengths. In the eleventh Cu+1.04+ site, Cu+1.04+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are two shorter (2.25 Å) and one longer (2.28 Å) Cu–S bond lengths. In the twelfth Cu+1.04+ site, Cu+1.04+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.25–2.28 Å. In the thirteenth Cu+1.04+ site, Cu+1.04+ is bonded in a distorted trigonal planar geometry to three S2- atoms. All Cu–S bond lengths are 2.26 Å. In the fourteenth Cu+1.04+ site, Cu+1.04+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.32 Å) Cu–S bond lengths. In the fifteenth Cu+1.04+ site, Cu+1.04+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.32 Å) Cu–S bond lengths. In the sixteenth Cu+1.04+ site, Cu+1.04+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.32 Å) Cu–S bond lengths. In the seventeenth Cu+1.04+ site, Cu+1.04+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.32 Å) Cu–S bond lengths. In the eighteenth Cu+1.04+ site, Cu+1.04+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.32 Å) Cu–S bond lengths. In the nineteenth Cu+1.04+ site, Cu+1.04+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.32 Å) Cu–S bond lengths. In the twentieth Cu+1.04+ site, Cu+1.04+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are two shorter (2.26 Å) and one longer (2.27 Å) Cu–S bond lengths. In the twenty-first Cu+1.04+ site, Cu+1.04+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.25–2.27 Å. In the twenty-second Cu+1.04+ site, Cu+1.04+ is bonded in a distorted trigonal planar geometry to three S2- atoms. All Cu–S bond lengths are 2.26 Å. In the twenty-third Cu+1.04+ site, Cu+1.04+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are one shorter (2.25 Å) and two longer (2.26 Å) Cu–S bond lengths. In the twenty-fourth Cu+1.04+ site, Cu+1.04+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.25–2.27 Å. In the twenty-fifth Cu+1.04+ site, Cu+1.04+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.25–2.28 Å. In the twenty-sixth Cu+1.04+ site, Cu+1.04+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.24–2.28 Å. In the twenty-seventh Cu+1.04+ site, Cu+1.04+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.32 Å) Cu–S bond lengths. In the twenty-eighth Cu+1.04+ site, Cu+1.04+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are one shorter (2.30 Å) and three longer (2.32 Å) Cu–S bond lengths. In the twenty-ninth Cu+1.04+ site, Cu+1.04+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are one shorter (2.31 Å) and three longer (2.32 Å) Cu–S bond lengths. In the thirtieth Cu+1.04+ site, Cu+1.04+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.32 Å) Cu–S bond lengths. In the thirty-first Cu+1.04+ site, Cu+1.04+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.32 Å) Cu–S bond lengths. In the thirty-second Cu+1.04+ site, Cu+1.04+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.25–2.27 Å. In the thirty-third Cu+1.04+ site, Cu+1.04+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are two shorter (2.26 Å) and one longer (2.28 Å) Cu–S bond lengths. In the thirty-fourth Cu+1.04+ site, Cu+1.04+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.25–2.27 Å. In the thirty-fifth Cu+1.04+ site, Cu+1.04+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.24–2.28 Å. In the thirty-sixth Cu+1.04+ site, Cu+1.04+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are one shorter (2.25 Å) and two longer (2.26 Å) Cu–S bond lengths. In the thirty-seventh Cu+1.04+ site, Cu+1.04+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.25–2.28 Å. In the thirty-eighth Cu+1.04+ site, Cu+1.04+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.32 Å) Cu–S bond lengths. In the thirty-ninth Cu+1.04+ site, Cu+1.04+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.30–2.32 Å. In the fortieth Cu+1.04+ site, Cu+1.04+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.30–2.32 Å. In the forty-first Cu+1.04+ site, Cu+1.04+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.30–2.32 Å. In the forty-second Cu+1.04+ site, Cu+1.04+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.32 Å) Cu–S bond lengths. In the forty-third Cu+1.04+ site, Cu+1.04+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.25–2.27 Å. In the forty-fourth Cu+1.04+ site, Cu+1.04+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.25–2.27 Å. In the forty-fifth Cu+1.04+ site, Cu+1.04+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.25–2.28 Å. In the forty-sixth Cu+1.04+ site, Cu+1.04+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.24–2.29 Å. In the forty-seventh Cu+1.04+ site, Cu+1.04+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.25–2.27 Å. In the forty-eighth Cu+1.04+ site, Cu+1.04+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.30–2.32 Å. In the forty-ninth Cu+1.04+ site, Cu+1.04+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.30–2.32 Å. In the fiftieth Cu+1.04+ site, Cu+1.04+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.30–2.32 Å. In the fifty-first Cu+1.04+ site, Cu+1.04+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are one shorter (2.30 Å) and three longer (2.32 Å) Cu–S bond lengths. In the fifty-second Cu+1.04+ site, Cu+1.04+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are two shorter (2.30 Å) and two longer (2.31 Å) Cu–S bond lengths. In the fifty-third Cu+1.04+ site, Cu+1.04+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.25–2.27 Å. In the fifty-fourth Cu+1.04+ site, Cu+1.04+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.25–2.28 Å. In the fifty-fifth Cu+1.04+ site, Cu+1.04+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.25–2.27 Å. In the fifty-sixth Cu+1.04+ site, Cu+1.04+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are one shorter (2.25 Å) and two longer (2.26 Å) Cu–S bond lengths. In the fifty-seventh Cu+1.04+ site, Cu+1.04+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are two shorter (2.25 Å) and one longer (2.28 Å) Cu–S bond lengths. In the fifty-eighth Cu+1.04+ site, Cu+1.04+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.30–2.32 Å. In the fifty-ninth Cu+1.04+ site, Cu+1.04+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are one shorter (2.30 Å) and three longer (2.32 Å) Cu–S bond lengths. In the sixtieth Cu+1.04+ site, Cu+1.04+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are three shorter (2.30 Å) and one longer (2.31 Å) Cu–S bond lengths. In the sixty-first Cu+1.04+ site, Cu+1.04+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.30–2.32 Å. In the sixty-second Cu+1.04+ site, Cu+1.04+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.24–2.28 Å. In the sixty-third Cu+1.04+ site, Cu+1.04+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are two shorter (2.26 Å) and one longer (2.27 Å) Cu–S bond lengths. In the sixty-fourth Cu+1.04+ site, Cu+1.04+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.25–2.28 Å. In the sixty-fifth Cu+1.04+ site, Cu+1.04+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.29–2.32 Å. In the sixty-sixth Cu+1.04+ site, Cu+1.04+ is bonded t