Materials Data on Rb4SnSb6 by Materials Project

Rb4SnSb6 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. there are seven inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in an octahedral geometry to six Sb1- atoms. There are three shorter (3.69 Å) and three longer (3.90 Å) Rb–Sb bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to six Sb1- atoms. There are a spread of Rb–Sb bond distances ranging from 3.82–4.07 Å. In the third Rb1+ site, Rb1+ is bonded in a distorted hexagonal planar geometry to six Sb1- atoms. There are a spread of Rb–Sb bond distances ranging from 3.76–4.20 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six Sb1- atoms. There are a spread of Rb–Sb bond distances ranging from 3.75–4.03 Å. In the fifth Rb1+ site, Rb1+ is bonded in an octahedral geometry to six equivalent Sb1- atoms. All Rb–Sb bond lengths are 3.97 Å. In the sixth Rb1+ site, Rb1+ is bonded to six equivalent Sb1- atoms to form RbSb6 octahedra that share corners with six equivalent SbRb5SnSb pentagonal bipyramids. All Rb–Sb bond lengths are 3.95 Å. In the seventh Rb1+ site, Rb1+ is bonded in a distorted T-shaped geometry to three equivalent Sb1- atoms. All Rb–Sb bond lengths are 3.79 Å. Sn2+ is bonded in a distorted trigonal non-coplanar geometry to three Sb1- atoms. There are two shorter (2.88 Å) and one longer (2.89 Å) Sn–Sb bond lengths. There are six inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded to five Rb1+, one Sn2+, and one Sb1- atom to form distorted SbRb5SnSb pentagonal bipyramids that share a cornercorner with one RbSb6 octahedra, corners with two equivalent SbRb5SnSb pentagonal bipyramids, and edges with two equivalent SbRb5SnSb pentagonal bipyramids. The corner-sharing octahedral tilt angles are 41°. The Sb–Sb bond length is 2.79 Å. In the second Sb1- site, Sb1- is bonded in a 6-coordinate geometry to four Rb1+, one Sn2+, and one Sb1- atom. The Sb–Sb bond length is 2.79 Å. In the third Sb1- site, Sb1- is bonded in a 7-coordinate geometry to four Rb1+ and three Sb1- atoms. Both Sb–Sb bond lengths are 2.97 Å. In the fourth Sb1- site, Sb1- is bonded in a 6-coordinate geometry to three Rb1+ and three Sb1- atoms. There are one shorter (2.79 Å) and one longer (2.93 Å) Sb–Sb bond lengths. In the fifth Sb1- site, Sb1- is bonded in a 6-coordinate geometry to three Rb1+ and three Sb1- atoms. In the sixth Sb1- site, Sb1- is bonded in a 6-coordinate geometry to four Rb1+, one Sn2+, and one Sb1- atom.