ZnBi2O5 crystallizes in the triclinic P1 space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(2), and two equivalent O(7) atoms. In the second Zn site, Zn(2) is bonded to one O(1), one O(8), and two equivalent O(9) atoms to form ZnO4 tetrahedra that share corners with two equivalent Zn(2)O4 tetrahedra and corners with two equivalent Bi(3)O5 trigonal bipyramids. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(10), one O(2), one O(4), and two equivalent O(3) atoms to form distorted corner-sharing BiO5 square pyramids. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(3), one O(9), two equivalent O(1), and two equivalent O(4) atoms. In the third Bi site, Bi(3) is bonded to one O(1), one O(5), one O(8), and two equivalent O(6) atoms to form distorted BiO5 trigonal bipyramids that share corners with two equivalent Zn(2)O4 tetrahedra and corners with two equivalent Bi(3)O5 trigonal bipyramids. In the fourth Bi site, Bi(4) is bonded in a 5-coordinate geometry to one O(2), one O(6), one O(7), and two equivalent O(5) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Zn(2), one Bi(3), and two equivalent Bi(2) atoms to form distorted corner-sharing OZnBi3 tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zn(1), one Bi(1), and one Bi(4) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Bi(2) and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Bi(1) and two equivalent Bi(2) atoms. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Bi(3) and two equivalent Bi(4) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Bi(4) and two equivalent Bi(3) atoms. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one Bi(4) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Zn(2) and one Bi(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to two equivalent Zn(2) and one Bi(2) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Zn(1) and one Bi(1) atom.
ZnBi2O5 crystallizes in the triclinic P1 space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(2), and two equivalent O(7) atoms. The Zn(1)-O(10) bond length is 1.97 Å. The Zn(1)-O(2) bond length is 1.98 Å. There is one shorter (2.00 Å) and one longer (2.24 Å) Zn(1)-O(7) bond length. In the second Zn site, Zn(2) is bonded to one O(1), one O(8), and two equivalent O(9) atoms to form ZnO4 tetrahedra that share corners with two equivalent Zn(2)O4 tetrahedra and corners with two equivalent Bi(3)O5 trigonal bipyramids. The Zn(2)-O(1) bond length is 2.07 Å. The Zn(2)-O(8) bond length is 2.11 Å. There is one shorter (2.02 Å) and one longer (2.03 Å) Zn(2)-O(9) bond length. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(10), one O(2), one O(4), and two equivalent O(3) atoms to form distorted corner-sharing BiO5 square pyramids. The Bi(1)-O(10) bond length is 2.04 Å. The Bi(1)-O(2) bond length is 2.17 Å. The Bi(1)-O(4) bond length is 2.15 Å. There is one shorter (2.15 Å) and one longer (2.20 Å) Bi(1)-O(3) bond length. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(3), one O(9), two equivalent O(1), and two equivalent O(4) atoms. The Bi(2)-O(3) bond length is 2.64 Å. The Bi(2)-O(9) bond length is 2.29 Å. There is one shorter (2.43 Å) and one longer (2.66 Å) Bi(2)-O(1) bond length. There is one shorter (2.25 Å) and one longer (2.33 Å) Bi(2)-O(4) bond length. In the third Bi site, Bi(3) is bonded to one O(1), one O(5), one O(8), and two equivalent O(6) atoms to form distorted BiO5 trigonal bipyramids that share corners with two equivalent Zn(2)O4 tetrahedra and corners with two equivalent Bi(3)O5 trigonal bipyramids. The Bi(3)-O(1) bond length is 2.14 Å. The Bi(3)-O(5) bond length is 2.17 Å. The Bi(3)-O(8) bond length is 2.03 Å. There is one shorter (2.08 Å) and one longer (2.10 Å) Bi(3)-O(6) bond length. In the fourth Bi site, Bi(4) is bonded in a 5-coordinate geometry to one O(2), one O(6), one O(7), and two equivalent O(5) atoms. The Bi(4)-O(2) bond length is 2.20 Å. The Bi(4)-O(6) bond length is 2.60 Å. The Bi(4)-O(7) bond length is 2.19 Å. There is one shorter (2.24 Å) and one longer (2.48 Å) Bi(4)-O(5) bond length. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Zn(2), one Bi(3), and two equivalent Bi(2) atoms to form distorted corner-sharing OZnBi3 tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zn(1), one Bi(1), and one Bi(4) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Bi(2) and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Bi(1) and two equivalent Bi(2) atoms. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Bi(3) and two equivalent Bi(4) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Bi(4) and two equivalent Bi(3) atoms. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one Bi(4) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Zn(2) and one Bi(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to two equivalent Zn(2) and one Bi(2) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Zn(1) and one Bi(1) atom.