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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Rb2SnBr6 by Materials Project

Rb2SnBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Br1- atoms to form RbBr12 cuboctahedra that share corners with twelve equivalent RbBr12 cuboctahedra, faces with six equivalent RbBr12 cuboctahedra, and faces with four equivalent SnBr6 octahedra. All Rb–Br bond lengths are 3.89 Å. Sn4+ is bonded to six equivalent Br1- atoms to form SnBr6 octahedra that share faces with eight equivalent RbBr12 cuboctahedra. All Sn–Br bond lengths are 2.65 Å. Br1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Sn4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbSn2Br5 by Materials Project

RbSn2Br5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten Br1- atoms. There are eight shorter (3.68 Å) and two longer (3.82 Å) Rb–Br bond lengths. Sn2+ is bonded in a 4-coordinate geometry to four Br1- atoms. There are two shorter (2.78 Å) and two longer (3.14 Å) Sn–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to two equivalent Rb1+ and four equivalent Sn2+ atoms to form distorted corner-sharing BrRb2Sn4 octahedra. The corner-sharing octahedra tilt angles range from 0–32°. In the second Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Rb1+ and one Sn2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbSnBr3 by Materials Project

RbSnBr3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.83–4.25 Å. Sn2+ is bonded to six Br1- atoms to form corner-sharing SnBr6 octahedra. The corner-sharing octahedra tilt angles range from 1–5°. There are a spread of Sn–Br bond distances ranging from 2.91–2.96 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Sn2+ atoms. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to three equivalent Rb1+ and two equivalent Sn2+ atoms. In the third Br1- site, Br1- is bonded in a 2-coordinate geometry to three equivalent Rb1+ and two equivalent Sn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbSnBr3 by Materials Project

RbSnBr3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.65–3.99 Å. Sn2+ is bonded to six Br1- atoms to form edge-sharing SnBr6 octahedra. There are a spread of Sn–Br bond distances ranging from 2.81–3.26 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent Sn2+ atoms. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three equivalent Sn2+ atoms. In the third Br1- site, Br1- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one Sn2+ atom.

36 MATERIALS SCIENCE↗