DOE OSTI2020
Sb10F37SbF6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two Sb10F37 clusters and two SbF6 clusters. In each Sb10F37 cluster, there are five inequivalent Sb+3.91+ sites. In the first Sb+3.91+ site, Sb+3.91+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.94–2.27 Å. In the second Sb+3.91+ site, Sb+3.91+ is bonded in a 6-coordinate geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.91–2.52 Å. In the third Sb+3.91+ site, Sb+3.91+ is bonded to five F1- atoms to form distorted SbF5 square pyramids that share a cornercorner with one SbF6 octahedra and a cornercorner with one SbF5 square pyramid. The corner-sharing octahedral tilt angles are 34°. There are a spread of Sb–F bond distances ranging from 1.93–2.47 Å. In the fourth Sb+3.91+ site, Sb+3.91+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.90–1.99 Å. In the fifth Sb+3.91+ site, Sb+3.91+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. There are a spread of Sb–F bond distances ranging from 1.89–1.97 Å. There are nineteen inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb+3.91+ atom. In the second F1- site, F1- is bonded in a distorted linear geometry to two Sb+3.91+ atoms. In the third F1- site, F1- is bonded in a linear geometry to two Sb+3.91+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb+3.91+ atom. In the fifth F1- site, F1- is bonded in a distorted linear geometry to two Sb+3.91+ atoms. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb+3.91+ atom. In the seventh F1- site, F1- is bonded in a linear geometry to two equivalent Sb+3.91+ atoms. In the eighth F1- site, F1- is bonded in a bent 150 degrees geometry to two Sb+3.91+ atoms. In the ninth F1- site, F1- is bonded in a distorted single-bond geometry to one Sb+3.91+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Sb+3.91+ atom. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one Sb+3.91+ atom. In the twelfth F1- site, F1- is bonded in a single-bond geometry to one Sb+3.91+ atom. In the thirteenth F1- site, F1- is bonded in a single-bond geometry to one Sb+3.91+ atom. In the fourteenth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Sb+3.91+ atoms. In the fifteenth F1- site, F1- is bonded in a single-bond geometry to one Sb+3.91+ atom. In the sixteenth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Sb+3.91+ atoms. In the seventeenth F1- site, F1- is bonded in a distorted single-bond geometry to one Sb+3.91+ atom. In the eighteenth F1- site, F1- is bonded in a single-bond geometry to one Sb+3.91+ atom. In the nineteenth F1- site, F1- is bonded in a single-bond geometry to one Sb+3.91+ atom. In each SbF6 cluster, Sb+3.91+ is bonded in an octahedral geometry to six F1- atoms. There is four shorter (1.92 Å) and two longer (1.93 Å) Sb–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb+3.91+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb+3.91+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb+3.91+ atom.