MgBiPO6 crystallizes in the monoclinic P2_1/m space group. Mg(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted MgO5 square pyramids that share corners with three equivalent P(1)O4 tetrahedra. Bi(1) is bonded in a distorted pentagonal planar geometry to one O(4) and four equivalent O(1) atoms. P(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with three equivalent Mg(1)O5 square pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Mg(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one P(1) atom. In the third O site, O(3) is bonded in a linear geometry to one Mg(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one P(1) atom.
MgBiPO6 crystallizes in the monoclinic P2_1/m space group. Mg(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted MgO5 square pyramids that share corners with three equivalent P(1)O4 tetrahedra. The Mg(1)-O(3) bond length is 2.00 Å. Both Mg(1)-O(1) bond lengths are 2.13 Å. Both Mg(1)-O(2) bond lengths are 2.02 Å. Bi(1) is bonded in a distorted pentagonal planar geometry to one O(4) and four equivalent O(1) atoms. The Bi(1)-O(4) bond length is 2.51 Å. There are two shorter (2.21 Å) and two longer (2.29 Å) Bi(1)-O(1) bond lengths. P(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with three equivalent Mg(1)O5 square pyramids. The P(1)-O(3) bond length is 1.52 Å. The P(1)-O(4) bond length is 1.56 Å. Both P(1)-O(2) bond lengths are 1.55 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Mg(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one P(1) atom. In the third O site, O(3) is bonded in a linear geometry to one Mg(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one P(1) atom.