MgBi2(PO5)2 crystallizes in the orthorhombic Fdd2 space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Bi(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form distorted BiO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 61°. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-82°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Bi(1) and one O(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Bi(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mg(1), one Bi(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Bi(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Bi(1) and one P(1) atom.
MgBi2(PO5)2 crystallizes in the orthorhombic Fdd2 space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Both Mg(1)-O(2) bond lengths are 2.58 Å. Both Mg(1)-O(3) bond lengths are 2.06 Å. Both Mg(1)-O(4) bond lengths are 2.10 Å. Bi(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form distorted BiO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 61°. The Bi(1)-O(2) bond length is 2.24 Å. The Bi(1)-O(3) bond length is 2.64 Å. The Bi(1)-O(4) bond length is 2.64 Å. The Bi(1)-O(5) bond length is 2.22 Å. There is one shorter (2.27 Å) and one longer (2.34 Å) Bi(1)-O(1) bond length. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-82°. The P(1)-O(2) bond length is 1.56 Å. The P(1)-O(3) bond length is 1.55 Å. The P(1)-O(4) bond length is 1.55 Å. The P(1)-O(5) bond length is 1.56 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Bi(1) and one O(1) atom. The O(1)-O(1) bond length is 1.44 Å. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Bi(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mg(1), one Bi(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Bi(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Bi(1) and one P(1) atom.