DOI: 10.17188/1688890
title: Materials Data on Rb16Sn89 by Materials Project

description: Rb16Sn89 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are fourteen inequivalent Rb sites. In the first Rb site, Rb is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Rb–Sn bond distances ranging from 4.21–4.24 Å. In the second Rb site, Rb is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Rb–Sn bond distances ranging from 4.08–4.27 Å. In the third Rb site, Rb is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Rb–Sn bond distances ranging from 4.12–4.26 Å. In the fourth Rb site, Rb is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Rb–Sn bond distances ranging from 4.11–4.29 Å. In the fifth Rb site, Rb is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Rb–Sn bond distances ranging from 4.08–4.25 Å. In the sixth Rb site, Rb is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Rb–Sn bond distances ranging from 4.12–4.26 Å. In the seventh Rb site, Rb is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Rb–Sn bond distances ranging from 4.07–4.27 Å. In the eighth Rb site, Rb is bonded in a 8-coordinate geometry to eight Sn atoms. There are two shorter (4.21 Å) and six longer (4.23 Å) Rb–Sn bond lengths. In the ninth Rb site, Rb is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Rb–Sn bond distances ranging from 4.13–4.25 Å. In the tenth Rb site, Rb is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Rb–Sn bond distances ranging from 4.11–4.28 Å. In the eleventh Rb site, Rb is bonded in a 11-coordinate geometry to seventeen Sn atoms. There are a spread of Rb–Sn bond distances ranging from 3.97–4.14 Å. In the twelfth Rb site, Rb is bonded in a 11-coordinate geometry to seventeen Sn atoms. There are a spread of Rb–Sn bond distances ranging from 3.92–4.18 Å. In the thirteenth Rb site, Rb is bonded in a 12-coordinate geometry to sixteen Sn atoms. There are a spread of Rb–Sn bond distances ranging from 3.91–4.14 Å. In the fourteenth Rb site, Rb is bonded in a 8-coordinate geometry to eighteen Sn atoms. There are a spread of Rb–Sn bond distances ranging from 3.96–4.15 Å. There are fifty-five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 7-coordinate geometry to three Rb and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.91–2.96 Å. In the second Sn site, Sn is bonded in a 7-coordinate geometry to three Rb and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.89–2.96 Å. In the third Sn site, Sn is bonded in a 5-coordinate geometry to two Rb and three Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.93–2.98 Å. In the fourth Sn site, Sn is bonded in a 5-coordinate geometry to two Rb and three Sn atoms. There are one shorter (2.94 Å) and two longer (2.96 Å) Sn–Sn bond lengths. In the fifth Sn site, Sn is bonded in a 7-coordinate geometry to three Rb and four Sn atoms. There are three shorter (2.92 Å) and one longer (3.00 Å) Sn–Sn bond lengths. In the sixth Sn site, Sn is bonded to two equivalent Rb and three Sn atoms to form distorted SnRb2Sn3 trigonal bipyramids that share a cornercorner with one SnSn4 tetrahedra, corners with four SnRbSn4 trigonal bipyramids, and an edgeedge with one SnRb2Sn3 trigonal bipyramid. There are two shorter (2.97 Å) and one longer (3.04 Å) Sn–Sn bond lengths. In the seventh Sn site, Sn is bonded in a 7-coordinate geometry to three Rb and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.89–2.95 Å. In the eighth Sn site, Sn is bonded in a 7-coordinate geometry to three Rb and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.88–2.95 Å. In the ninth Sn site, Sn is bonded in a 7-coordinate geometry to three Rb and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.90–3.00 Å. In the tenth Sn site, Sn is bonded in a 7-coordinate geometry to three Rb and four Sn atoms. There are two shorter (2.89 Å) and one longer (3.01 Å) Sn–Sn bond lengths. In the eleventh Sn site, Sn is bonded in a 7-coordinate geometry to three Rb and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.89–3.05 Å. In the twelfth Sn site, Sn is bonded in a 4-coordinate geometry to three Rb and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.88–3.00 Å. In the thirteenth Sn site, Sn is bonded in a 7-coordinate geometry to three Rb and four Sn atoms. All Sn–Sn bond lengths are 2.92 Å. In the fourteenth Sn site, Sn is bonded in a 7-coordinate geometry to three Rb and four Sn atoms. There are two shorter (2.92 Å) and one longer (3.00 Å) Sn–Sn bond lengths. In the fifteenth Sn site, Sn is bonded to two equivalent Rb and three Sn atoms to form distorted SnRb2Sn3 trigonal bipyramids that share a cornercorner with one SnSn4 tetrahedra, corners with two equivalent SnRbSn4 trigonal bipyramids, and an edgeedge with one SnRb2Sn3 trigonal bipyramid. Both Sn–Sn bond lengths are 2.94 Å. In the sixteenth Sn site, Sn is bonded in a 4-coordinate geometry to three Rb and four Sn atoms. There are two shorter (2.89 Å) and one longer (2.93 Å) Sn–Sn bond lengths. In the seventeenth Sn site, Sn is bonded in a 7-coordinate geometry to three Rb and four Sn atoms. There are three shorter (2.92 Å) and one longer (3.01 Å) Sn–Sn bond lengths. In the eighteenth Sn site, Sn is bonded in a 7-coordinate geometry to three Rb and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.91–3.00 Å. In the nineteenth Sn site, Sn is bonded to two Rb and three Sn atoms to form distorted SnRb2Sn3 trigonal bipyramids that share a cornercorner with one SnSn4 tetrahedra, corners with three SnRbSn4 trigonal bipyramids, and an edgeedge with one SnRb2Sn3 trigonal bipyramid. There are a spread of Sn–Sn bond distances ranging from 2.92–3.01 Å. In the twentieth Sn site, Sn is bonded in a 7-coordinate geometry to three Rb and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.88–2.95 Å. In the twenty-first Sn site, Sn is bonded in a 5-coordinate geometry to two equivalent Rb and three Sn atoms. There are two shorter (2.93 Å) and one longer (2.96 Å) Sn–Sn bond lengths. In the twenty-second Sn site, Sn is bonded in a 5-coordinate geometry to two equivalent Rb and three Sn atoms. There are one shorter (2.96 Å) and two longer (2.97 Å) Sn–Sn bond lengths. In the twenty-third Sn site, Sn is bonded in a 7-coordinate geometry to three Rb and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.90–3.00 Å. In the twenty-fourth Sn site, Sn is bonded in a 4-coordinate geometry to three Rb and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.88–3.02 Å. In the twenty-fifth Sn site, Sn is bonded in a 7-coordinate geometry to three Rb and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.88–3.00 Å. In the twenty-sixth Sn site, Sn is bonded in a 7-coordinate geometry to three Rb and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.88–2.92 Å. In the twenty-seventh Sn site, Sn is bonded in a 7-coordinate geometry to three Rb and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.90–3.01 Å. In the twenty-eighth Sn site, Sn is bonded in a 7-coordinate geometry to three Rb and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.89–3.01 Å. In the twenty-ninth Sn site, Sn is bonded in a 7-coordinate geometry to three Rb and four Sn atoms. There are two shorter (2.93 Å) and one longer (3.03 Å) Sn–Sn bond lengths. In the thirtieth Sn site, Sn is bonded in a 7-coordinate geometry to three Rb and four Sn atoms. There are two shorter (2.89 Å) and one longer (3.01 Å) Sn–Sn bond lengths. In the thirty-first Sn site, Sn is bonded in a 5-coordinate geometry to two equivalent Rb and three Sn atoms. Both Sn–Sn bond lengths are 2.93 Å. In the thirty-second Sn site, Sn is bonded in a 5-coordinate geometry to two equivalent Rb and three Sn atoms. Both Sn–Sn bond lengths are 2.93 Å. In the thirty-third Sn site, Sn is bonded to one Rb and four Sn atoms to form distorted SnRbSn4 trigonal bipyramids that share corners with two SnSn4 tetrahedra, corners with two SnRbSn4 trigonal bipyramids, and edges with three SnRbSn4 trigonal bipyramids. The Sn–Sn bond length is 2.92 Å. In the thirty-fourth Sn site, Sn is bonded to one Rb and four Sn atoms to form distorted SnRbSn4 trigonal bipyramids that share a cornercorner with one SnSn4 tetrahedra, corners with two SnRb2Sn3 trigonal bipyramids, and edges with two SnRbSn4 trigonal bipyramids. The Sn–Sn bond length is 2.97 Å. In the thirty-fifth Sn site, Sn is bonded in a 5-coordinate geometry to one Rb and four Sn atoms. The Sn–Sn bond length is 2.86 Å. In the thirty-sixth Sn site, Sn is bonded in a 5-coordinate geometry to one Rb and four Sn atoms. The Sn–Sn bond length is 2.87 Å. In the thirty-seventh Sn site, Sn is bonded to one Rb and four Sn atoms to form distorted SnRbSn4 trigonal bipyramids that share corners with two SnSn4 tetrahedra, corners with three SnRbSn4 trigonal bipyramids, and edges with two SnRbSn4 trigonal bipyramids. The Sn–Sn bond length is 2.91 Å. In the thirty-eighth Sn site, Sn is bonded to one Rb and four Sn atoms to form distorted SnRbSn4 trigonal bipyramids that share corners with two SnSn4 tetrahedra, corners with two SnRb2Sn3 trigonal bipyramids, and edges with two SnRbSn4 trigonal bipyramids. The Sn–Sn bond length is 2.90 Å. In the thirty-ninth Sn site, Sn is bonded to one Rb and four Sn atoms to form distorted SnRbSn4 trigonal bipyramids that share corners with two SnSn4 tetrahedra, corners with four SnRbSn4 trigonal bipyramids, and edges with two SnRbSn4 trigonal bipyramids. The Sn–Sn bond length is 2.91 Å. In the fortieth Sn site, Sn is bonded in a 5-coordinate geometry to one Rb and four Sn atoms. The Sn–Sn bond length is 2.87 Å. In the forty-first Sn site, Sn is bonded to one Rb and four Sn atoms to form distorted SnRbSn4 trigonal bipyramids that share corners with two SnSn4 tetrahedra, a cornercorner with one SnRbSn4 trigonal bipyramid, and edges with two SnRbSn4 trigonal bipyramids. In the forty-second Sn site, Sn is bonded to one Rb and four Sn atoms to form distorted SnRbSn4 trigonal bipyramids that share a cornercorner with one SnSn4 tetrahedra, corners with three SnRb2Sn3 trigonal bipyramids, and edges with three SnRbSn4 trigonal bipyramids. In the forty-third Sn site, Sn is bonded in a 5-coordinate geometry to one Rb and four Sn atoms. In the forty-fourth Sn site, Sn is bonded in a 5-coordinate geometry to one Rb and four Sn atoms. In the forty-fifth Sn site, Sn is bonded to one Rb and four Sn atoms to form distorted SnRbSn4 trigonal bipyramids that share corners with two SnSn4 tetrahedra, corners with four SnRb2Sn3 trigonal bipyramids, and edges with two SnRbSn4 trigonal bipyramids. In the forty-sixth Sn site, Sn is bonded in a 5-coordinate geometry to one Rb and four Sn atoms. In the forty-seventh Sn site, Sn is bonded to one Rb and four Sn atoms to form distorted SnRbSn4 trigonal bipyramids that share corners with two SnSn4 tetrahedra, a cornercorner with one SnRbSn4 trigonal bipyramid, and edges with two SnRbSn4 trigonal bipyramids. In the forty-eighth Sn site, Sn is bonded to one Rb and four Sn atoms to form distorted SnRbSn4 trigonal bipyramids that share corners with two SnSn4 tetrahedra, corners with four SnRb2Sn3 trigonal bipyramids, and edges with two SnRbSn4 trigonal bipyramids. In the forty-ninth Sn site, Sn is bonded to four Sn atoms to form corner-sharing SnSn4 tetrahedra. In the fiftieth Sn site, Sn is bonded to four Sn atoms to form corner-sharing SnSn4 tetrahedra. In the fifty-first Sn site, Sn is bonded to four Sn atoms to form corner-sharing SnSn4 tetrahedra. In the fifty-second Sn site, Sn is bonded to four Sn atoms to form corner-sharing