MgBi2O6 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. Mg(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted MgO6 pentagonal pyramids that share corners with four equivalent Bi(1)O6 octahedra and edges with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-69°. Bi(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form BiO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra, corners with two equivalent Mg(1)O6 pentagonal pyramids, and edges with two equivalent Mg(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 36-49°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a T-shaped geometry to one Mg(1) and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Mg(1) and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Mg(1) and two equivalent Bi(1) atoms.
MgBi2O6 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. Mg(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted MgO6 pentagonal pyramids that share corners with four equivalent Bi(1)O6 octahedra and edges with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-69°. The Mg(1)-O(3) bond length is 2.10 Å. The Mg(1)-O(4) bond length is 2.16 Å. Both Mg(1)-O(1) bond lengths are 2.14 Å. Both Mg(1)-O(2) bond lengths are 2.18 Å. Bi(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form BiO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra, corners with two equivalent Mg(1)O6 pentagonal pyramids, and edges with two equivalent Mg(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 36-49°. The Bi(1)-O(3) bond length is 2.21 Å. The Bi(1)-O(4) bond length is 2.16 Å. There is one shorter (2.12 Å) and one longer (2.18 Å) Bi(1)-O(1) bond length. There is one shorter (2.14 Å) and one longer (2.16 Å) Bi(1)-O(2) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a T-shaped geometry to one Mg(1) and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Mg(1) and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Mg(1) and two equivalent Bi(1) atoms.