DOI: 10.17188/1697051
title: Materials Data on V17S19 by Materials Project

description: V17S19 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are thirty-four inequivalent V+2.24+ sites. In the first V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 43–49°. There are a spread of V–S bond distances ranging from 2.36–2.42 Å. In the second V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 44–47°. There are a spread of V–S bond distances ranging from 2.36–2.42 Å. In the third V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 44–47°. There are a spread of V–S bond distances ranging from 2.36–2.44 Å. In the fourth V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 43–49°. There are a spread of V–S bond distances ranging from 2.32–2.45 Å. In the fifth V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 44–47°. There are a spread of V–S bond distances ranging from 2.37–2.40 Å. In the sixth V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 45–47°. There are a spread of V–S bond distances ranging from 2.37–2.44 Å. In the seventh V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 44–47°. There are a spread of V–S bond distances ranging from 2.38–2.40 Å. In the eighth V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 45–46°. There are a spread of V–S bond distances ranging from 2.37–2.43 Å. In the ninth V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 44–47°. There are a spread of V–S bond distances ranging from 2.35–2.41 Å. In the tenth V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 45–46°. There are a spread of V–S bond distances ranging from 2.38–2.42 Å. In the eleventh V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 45–46°. There are a spread of V–S bond distances ranging from 2.38–2.40 Å. In the twelfth V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 45–46°. There are one shorter (2.38 Å) and five longer (2.39 Å) V–S bond lengths. In the thirteenth V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 45–46°. There are a spread of V–S bond distances ranging from 2.38–2.41 Å. In the fourteenth V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 45–46°. All V–S bond lengths are 2.39 Å. In the fifteenth V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 45–46°. There are a spread of V–S bond distances ranging from 2.38–2.41 Å. In the sixteenth V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 45–46°. There are a spread of V–S bond distances ranging from 2.38–2.41 Å. In the seventeenth V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 45–46°. There are a spread of V–S bond distances ranging from 2.37–2.40 Å. In the eighteenth V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 44–47°. There are a spread of V–S bond distances ranging from 2.38–2.41 Å. In the nineteenth V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 45–46°. There are three shorter (2.38 Å) and three longer (2.40 Å) V–S bond lengths. In the twentieth V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 44–47°. There are a spread of V–S bond distances ranging from 2.37–2.40 Å. In the twenty-first V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 45–47°. There are a spread of V–S bond distances ranging from 2.35–2.41 Å. In the twenty-second V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 43–49°. There are a spread of V–S bond distances ranging from 2.35–2.41 Å. In the twenty-third V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 44–47°. There are a spread of V–S bond distances ranging from 2.36–2.42 Å. In the twenty-fourth V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 43–49°. There are a spread of V–S bond distances ranging from 2.32–2.45 Å. In the twenty-fifth V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are a spread of V–S bond distances ranging from 2.37–2.41 Å. In the twenty-sixth V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 44–45°. There are a spread of V–S bond distances ranging from 2.37–2.42 Å. In the twenty-seventh V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of V–S bond distances ranging from 2.37–2.40 Å. In the twenty-eighth V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 44–47°. There are a spread of V–S bond distances ranging from 2.37–2.39 Å. In the twenty-ninth V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of V–S bond distances ranging from 2.37–2.40 Å. In the thirtieth V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 45–47°. There are two shorter (2.38 Å) and four longer (2.39 Å) V–S bond lengths. In the thirty-first V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are two shorter (2.38 Å) and four longer (2.40 Å) V–S bond lengths. In the thirty-second V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are two shorter (2.38 Å) and four longer (2.41 Å) V–S bond lengths. In the thirty-third V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 44–45°. There are a spread of V–S bond distances ranging from 2.37–2.42 Å. In the thirty-fourth V+2.24+ site, V+2.24+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 44–48°. There are a spread of V–S bond distances ranging from 2.37–2.39 Å. There are thirty-eight inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to four V+2.24+ atoms. In the second S2- site, S2- is bonded to six V+2.24+ atoms to form a mixture of distorted edge and corner-sharing SV6 pentagonal pyramids. In the third S2- site, S2- is bonded in a 5-coordinate geometry to five V+2.24+ atoms. In the fourth S2- site, S2- is bonded to six V+2.24+ atoms to form a mixture of distorted edge and corner-sharing SV6 pentagonal pyramids. In the fifth S2- site, S2- is bonded to six V+2.24+ atoms to form a mixture of distorted edge and corner-sharing SV6 pentagonal pyramids. In the sixth S2- site, S2- is bonded to six V+2.24+ atoms to form a mixture of distorted edge and corner-sharing SV6 pentagonal pyramids. In the seventh S2- site, S2- is bonded to six V+2.24+ atoms to form a mixture of distorted edge and corner-sharing SV6 pentagonal pyramids. In the eighth S2- site, S2- is bonded to six V+2.24+ atoms to form a mixture of distorted edge and corner-sharing SV6 pentagonal pyramids. In the ninth S2- site, S2- is bonded to six V+2.24+ atoms to form a mixture of distorted edge and corner-sharing SV6 pentagonal pyramids. In the tenth S2- site, S2- is bonded to six V+2.24+ atoms to form a mixture of distorted edge and corner-sharing SV6 pentagonal pyramids. In the eleventh S2- site, S2- is bonded to six V+2.24+ atoms to form a mixture of distorted edge and corner-sharing SV6 pentagonal pyramids. In the twelfth S2- site, S2- is bonded to six V+2.24+ atoms to form a mixture of distorted edge and corner-sharing SV6 pentagonal pyramids. In the thirteenth S2- site, S2- is bonded to six V+2.24+ atoms to form a mixture of distorted edge and corner-sharing SV6 pentagonal pyramids. In the fourteenth S2- site, S2- is bonded to six V+2.24+ atoms to form a mixture of distorted edge and corner-sharing SV6 pentagonal pyramids. In the fifteenth S2- site, S2- is bonded to six V+2.24+ atoms to form a mixture of distorted edge and corner-sharing SV6 pentagonal pyramids. In the sixteenth S2- site, S2- is bonded to six V+2.24+ atoms to form a mixture of distorted edge and corner-sharing SV6 pentagonal pyramids. In the seventeenth S2- site, S2- is bonded to six V+2.24+ atoms to form a mixture of distorted edge and corner-sharing SV6 pentagonal pyramids. In the eighteenth S2- site, S2- is bonded to six V+2.24+ atoms to form a mixture of distorted edge and corner-sharing SV6 pentagonal pyramids. In the nineteenth S2- site, S2- is bonded to six V+2.24+ atoms to form a mixture of distorted edge and corner-sharing SV6 pentagonal pyramids. In the twentieth S2- site, S2- is bonded to six V+2.24+ atoms to form a mixture of distorted edge and corner-sharing SV6 pentagonal pyramids. In the twenty-first S2- site, S2- is bonded to six V+2.24+ atoms to form a mixture of distorted edge and corner-sharing SV6 pentagonal pyramids. In the twenty-second S2- site, S2- is bonded to six V+2.24+ atoms to form a mixture of distorted edge and corner-sharing SV6 pentagonal pyramids. In the twenty-third