RbCaBr3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Rb(1) is bonded in a 8-coordinate geometry to two equivalent Br(2) and six equivalent Br(1) atoms. Ca(1) is bonded to two equivalent Br(2) and four equivalent Br(1) atoms to form corner-sharing CaBr6 octahedra. The corner-sharing octahedral tilt angles range from 28-29°. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 5-coordinate geometry to three equivalent Rb(1) and two equivalent Ca(1) atoms. In the second Br site, Br(2) is bonded to two equivalent Rb(1) and two equivalent Ca(1) atoms to form distorted corner-sharing BrRb2Ca2 tetrahedra.
RbCaBr3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Rb(1) is bonded in a 8-coordinate geometry to two equivalent Br(2) and six equivalent Br(1) atoms. There is one shorter (3.44 Å) and one longer (3.48 Å) Rb(1)-Br(2) bond length. There are a spread of Rb(1)-Br(1) bond distances ranging from 3.46-3.88 Å. Ca(1) is bonded to two equivalent Br(2) and four equivalent Br(1) atoms to form corner-sharing CaBr6 octahedra. The corner-sharing octahedral tilt angles range from 28-29°. Both Ca(1)-Br(2) bond lengths are 2.87 Å. There are two shorter (2.90 Å) and two longer (2.91 Å) Ca(1)-Br(1) bond lengths. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 5-coordinate geometry to three equivalent Rb(1) and two equivalent Ca(1) atoms. In the second Br site, Br(2) is bonded to two equivalent Rb(1) and two equivalent Ca(1) atoms to form distorted corner-sharing BrRb2Ca2 tetrahedra.