Bi3ReO8 crystallizes in the cubic I2_13 space group. Re(1) is bonded in a tetrahedral geometry to one O(1) and three equivalent O(2) atoms. Bi(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Re(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Re(1) and one Bi(1) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to three equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded to four equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the fifth O site, O(5) is bonded to four equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing OBi4 tetrahedra.
Bi3ReO8 crystallizes in the cubic I2_13 space group. Re(1) is bonded in a tetrahedral geometry to one O(1) and three equivalent O(2) atoms. The Re(1)-O(1) bond length is 1.75 Å. All Re(1)-O(2) bond lengths are 1.74 Å. Bi(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms. The Bi(1)-O(2) bond length is 2.80 Å. The Bi(1)-O(3) bond length is 2.18 Å. There is one shorter (2.33 Å) and one longer (2.41 Å) Bi(1)-O(4) bond length. There is one shorter (2.17 Å) and one longer (2.70 Å) Bi(1)-O(5) bond length. There are five inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Re(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Re(1) and one Bi(1) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to three equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded to four equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the fifth O site, O(5) is bonded to four equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing OBi4 tetrahedra.