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DOE OSTI2020

Materials Data on RbSn by Materials Project

RbSn crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 12-coordinate geometry to eight equivalent Sn atoms. There are a spread of Rb–Sn bond distances ranging from 3.94–4.00 Å. In the second Rb site, Rb is bonded in a 6-coordinate geometry to six equivalent Sn atoms. There are a spread of Rb–Sn bond distances ranging from 3.89–4.04 Å. Sn is bonded in a 10-coordinate geometry to seven Rb and three equivalent Sn atoms. There are one shorter (3.00 Å) and two longer (3.01 Å) Sn–Sn bond lengths.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on RbSn3 by Materials Project

RbSn3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb is bonded in a 12-coordinate geometry to twelve equivalent Sn atoms. There are six shorter (3.94 Å) and six longer (4.01 Å) Rb–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to four equivalent Rb and six equivalent Sn atoms. There are two shorter (3.07 Å) and four longer (3.27 Å) Sn–Sn bond lengths.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Rb3Sn by Materials Project

Rb3Sn is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded to four equivalent Rb and four equivalent Sn atoms to form a mixture of distorted edge, corner, and face-sharing RbRb4Sn4 tetrahedra. All Rb–Rb bond lengths are 4.03 Å. All Rb–Sn bond lengths are 4.03 Å. In the second Rb site, Rb is bonded in a body-centered cubic geometry to eight equivalent Rb atoms. Sn is bonded in a body-centered cubic geometry to eight equivalent Rb atoms.

36 MATERIALS SCIENCE↗