Materials Data on Ho6Ag(GeS7)2 by Materials Project

Abstract

Ho6Ag(GeS7)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ho–S bond distances ranging from 2.72–3.28 Å. In the second Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ho–S bond distances ranging from 2.72–3.29 Å. In the third Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ho–S bond distances ranging from 2.72–3.28 Å. In the fourth Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ho–S bond distances ranging from 2.73–3.30 Å. In the fifth Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ho–S bond distances ranging from 2.73–3.30 Å. In the sixth Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ho–S bond distances ranging from 2.74–3.30 Å. Ag2+ is bonded in an octahedral geometry to six S2- atoms. There are a spread of Ag–S bond distances ranging from 2.61–2.72 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.22–2.25 Å. In the second Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.22 Å) and three longer (2.24 Å) Ge–S bond lengths. There are fourteen inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to four Ho3+ and one Ag2+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four Ho3+ and one Ag2+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to four Ho3+ and one Ag2+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to four Ho3+ and one Ag2+ atom. In the fifth S2- site, S2- is bonded in a 4-coordinate geometry to four Ho3+ and one Ag2+ atom. In the sixth S2- site, S2- is bonded in a 4-coordinate geometry to four Ho3+ and one Ag2+ atom. In the seventh S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Ho3+ and one Ge4+ atom. In the eighth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Ho3+ and one Ge4+ atom. In the ninth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Ho3+ and one Ge4+ atom. In the tenth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Ho3+ and one Ge4+ atom. In the eleventh S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Ho3+ and one Ge4+ atom. In the twelfth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Ho3+ and one Ge4+ atom. In the thirteenth S2- site, S2- is bonded in a tetrahedral geometry to three Ho3+ and one Ge4+ atom. In the fourteenth S2- site, S2- is bonded in a tetrahedral geometry to three Ho3+ and one Ge4+ atom.