RbCaCO3F crystallizes in the hexagonal P-62m space group. Rb(1) is bonded in a 11-coordinate geometry to four equivalent O(1), four equivalent O(2), and three equivalent F(1) atoms. Ca(1) is bonded to one O(1), four equivalent O(2), and two equivalent F(1) atoms to form corner-sharing CaO5F2 pentagonal bipyramids. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. In the second C site, C(2) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Rb(1), one Ca(1), and one C(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Rb(1), two equivalent Ca(1), and one C(1) atom. F(1) is bonded in a distorted linear geometry to three equivalent Rb(1) and two equivalent Ca(1) atoms.
RbCaCO3F crystallizes in the hexagonal P-62m space group. Rb(1) is bonded in a 11-coordinate geometry to four equivalent O(1), four equivalent O(2), and three equivalent F(1) atoms. All Rb(1)-O(1) bond lengths are 3.15 Å. All Rb(1)-O(2) bond lengths are 3.01 Å. There is one shorter (3.05 Å) and two longer (3.17 Å) Rb(1)-F(1) bond lengths. Ca(1) is bonded to one O(1), four equivalent O(2), and two equivalent F(1) atoms to form corner-sharing CaO5F2 pentagonal bipyramids. The Ca(1)-O(1) bond length is 2.27 Å. There are two shorter (2.45 Å) and two longer (2.48 Å) Ca(1)-O(2) bond lengths. Both Ca(1)-F(1) bond lengths are 2.22 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. All C(1)-O(2) bond lengths are 1.29 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. All C(2)-O(1) bond lengths are 1.29 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Rb(1), one Ca(1), and one C(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Rb(1), two equivalent Ca(1), and one C(1) atom. F(1) is bonded in a distorted linear geometry to three equivalent Rb(1) and two equivalent Ca(1) atoms.