Rb2Cu3P4(O3F)4 crystallizes in the monoclinic P2_1/c space group. Rb(1) is bonded in a 10-coordinate geometry to one O(1), one O(3), one O(4), one O(5), two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(6) atom to form CuO5 trigonal bipyramids that share corners with two equivalent P(2)O3F tetrahedra and corners with three equivalent P(1)O3F tetrahedra. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(4) and two equivalent O(5) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(6), and one F(1) atom to form PO3F tetrahedra that share corners with three equivalent Cu(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one F(2) atom to form PO3F tetrahedra that share corners with two equivalent Cu(1)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted trigonal planar geometry to one Rb(1), one Cu(2), and one P(2) atom. In the second O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the third O site, O(1) is bonded in a 2-coordinate geometry to one Rb(1), one Cu(1), and one P(1) atom. In the fourth O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Rb(1), one Cu(1), and one P(2) atom. In the fifth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Rb(1), one Cu(1), and one P(2) atom. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to one Rb(1), one Cu(1), one Cu(2), and one P(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to two equivalent Rb(1) and one P(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to two equivalent Rb(1) and one P(2) atom.
Rb2Cu3P4(O3F)4 crystallizes in the monoclinic P2_1/c space group. Rb(1) is bonded in a 10-coordinate geometry to one O(1), one O(3), one O(4), one O(5), two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms. The Rb(1)-O(1) bond length is 2.94 Å. The Rb(1)-O(3) bond length is 3.05 Å. The Rb(1)-O(4) bond length is 3.20 Å. The Rb(1)-O(5) bond length is 2.81 Å. There is one shorter (3.01 Å) and one longer (3.25 Å) Rb(1)-O(2) bond length. There is one shorter (2.95 Å) and one longer (3.35 Å) Rb(1)-F(1) bond length. There is one shorter (3.23 Å) and one longer (3.40 Å) Rb(1)-F(2) bond length. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(6) atom to form CuO5 trigonal bipyramids that share corners with two equivalent P(2)O3F tetrahedra and corners with three equivalent P(1)O3F tetrahedra. The Cu(1)-O(1) bond length is 1.96 Å. The Cu(1)-O(2) bond length is 2.02 Å. The Cu(1)-O(3) bond length is 1.98 Å. The Cu(1)-O(4) bond length is 2.09 Å. The Cu(1)-O(6) bond length is 2.23 Å. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(4) and two equivalent O(5) atoms. Both Cu(2)-O(4) bond lengths are 2.09 Å. Both Cu(2)-O(5) bond lengths are 1.90 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(6), and one F(1) atom to form PO3F tetrahedra that share corners with three equivalent Cu(1)O5 trigonal bipyramids. The P(1)-O(1) bond length is 1.53 Å. The P(1)-O(4) bond length is 1.56 Å. The P(1)-O(6) bond length is 1.50 Å. The P(1)-F(1) bond length is 1.62 Å. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one F(2) atom to form PO3F tetrahedra that share corners with two equivalent Cu(1)O5 trigonal bipyramids. The P(2)-O(2) bond length is 1.54 Å. The P(2)-O(3) bond length is 1.53 Å. The P(2)-O(5) bond length is 1.53 Å. The P(2)-F(2) bond length is 1.60 Å. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted trigonal planar geometry to one Rb(1), one Cu(2), and one P(2) atom. In the second O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the third O site, O(1) is bonded in a 2-coordinate geometry to one Rb(1), one Cu(1), and one P(1) atom. In the fourth O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Rb(1), one Cu(1), and one P(2) atom. In the fifth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Rb(1), one Cu(1), and one P(2) atom. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to one Rb(1), one Cu(1), one Cu(2), and one P(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to two equivalent Rb(1) and one P(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to two equivalent Rb(1) and one P(2) atom.