Zr6O11 crystallizes in the orthorhombic Pmm2 space group. There are six inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(7), and two equivalent O(8) atoms. In the second Zr site, Zr(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(10), two equivalent O(3), two equivalent O(5), and two equivalent O(9) atoms. In the third Zr site, Zr(3) is bonded in a distorted body-centered cubic geometry to two equivalent O(11), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. In the fourth Zr site, Zr(4) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(5), two equivalent O(8), and two equivalent O(9) atoms. In the fifth Zr site, Zr(5) is bonded in a distorted body-centered cubic geometry to two equivalent O(10), two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. In the sixth Zr site, Zr(6) is bonded in a 6-coordinate geometry to two equivalent O(11), two equivalent O(4), and two equivalent O(7) atoms. There are eleven inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Zr(1) and two equivalent Zr(4) atoms to form a mixture of distorted corner and edge-sharing OZr4 tetrahedra. In the second O site, O(2) is bonded to two equivalent Zr(3) and two equivalent Zr(5) atoms to form a mixture of distorted corner and edge-sharing OZr4 tetrahedra. In the third O site, O(3) is bonded to two equivalent Zr(2) and two equivalent Zr(5) atoms to form a mixture of distorted corner and edge-sharing OZr4 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Zr(3) and two equivalent Zr(6) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra. In the fifth O site, O(5) is bonded to two equivalent Zr(2) and two equivalent Zr(4) atoms to form a mixture of distorted corner and edge-sharing OZr4 tetrahedra. In the sixth O site, O(6) is bonded to two equivalent Zr(3) and two equivalent Zr(5) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra. In the seventh O site, O(7) is bonded to two equivalent Zr(1) and two equivalent Zr(6) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra. In the eighth O site, O(8) is bonded to two equivalent Zr(1) and two equivalent Zr(4) atoms to form a mixture of distorted corner and edge-sharing OZr4 tetrahedra. In the ninth O site, O(9) is bonded to two equivalent Zr(2) and two equivalent Zr(4) atoms to form a mixture of distorted corner and edge-sharing OZr4 tetrahedra. In the tenth O site, O(10) is bonded to two equivalent Zr(2) and two equivalent Zr(5) atoms to form a mixture of distorted corner and edge-sharing OZr4 tetrahedra. In the eleventh O site, O(11) is bonded to two equivalent Zr(3) and two equivalent Zr(6) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra.
Zr6O11 crystallizes in the orthorhombic Pmm2 space group. There are six inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(7), and two equivalent O(8) atoms. Both Zr(1)-O(1) bond lengths are 2.07 Å. Both Zr(1)-O(7) bond lengths are 2.10 Å. Both Zr(1)-O(8) bond lengths are 2.42 Å. In the second Zr site, Zr(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(10), two equivalent O(3), two equivalent O(5), and two equivalent O(9) atoms. Both Zr(2)-O(10) bond lengths are 2.41 Å. Both Zr(2)-O(3) bond lengths are 2.10 Å. Both Zr(2)-O(5) bond lengths are 2.43 Å. Both Zr(2)-O(9) bond lengths are 2.10 Å. In the third Zr site, Zr(3) is bonded in a distorted body-centered cubic geometry to two equivalent O(11), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. Both Zr(3)-O(11) bond lengths are 2.40 Å. Both Zr(3)-O(2) bond lengths are 2.42 Å. Both Zr(3)-O(4) bond lengths are 2.10 Å. Both Zr(3)-O(6) bond lengths are 2.10 Å. In the fourth Zr site, Zr(4) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(5), two equivalent O(8), and two equivalent O(9) atoms. Both Zr(4)-O(1) bond lengths are 2.46 Å. Both Zr(4)-O(5) bond lengths are 2.09 Å. Both Zr(4)-O(8) bond lengths are 2.09 Å. Both Zr(4)-O(9) bond lengths are 2.42 Å. In the fifth Zr site, Zr(5) is bonded in a distorted body-centered cubic geometry to two equivalent O(10), two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. Both Zr(5)-O(10) bond lengths are 2.11 Å. Both Zr(5)-O(2) bond lengths are 2.09 Å. Both Zr(5)-O(3) bond lengths are 2.42 Å. Both Zr(5)-O(6) bond lengths are 2.40 Å. In the sixth Zr site, Zr(6) is bonded in a 6-coordinate geometry to two equivalent O(11), two equivalent O(4), and two equivalent O(7) atoms. Both Zr(6)-O(11) bond lengths are 2.10 Å. Both Zr(6)-O(4) bond lengths are 2.39 Å. Both Zr(6)-O(7) bond lengths are 2.39 Å. There are eleven inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Zr(1) and two equivalent Zr(4) atoms to form a mixture of distorted corner and edge-sharing OZr4 tetrahedra. In the second O site, O(2) is bonded to two equivalent Zr(3) and two equivalent Zr(5) atoms to form a mixture of distorted corner and edge-sharing OZr4 tetrahedra. In the third O site, O(3) is bonded to two equivalent Zr(2) and two equivalent Zr(5) atoms to form a mixture of distorted corner and edge-sharing OZr4 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Zr(3) and two equivalent Zr(6) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra. In the fifth O site, O(5) is bonded to two equivalent Zr(2) and two equivalent Zr(4) atoms to form a mixture of distorted corner and edge-sharing OZr4 tetrahedra. In the sixth O site, O(6) is bonded to two equivalent Zr(3) and two equivalent Zr(5) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra. In the seventh O site, O(7) is bonded to two equivalent Zr(1) and two equivalent Zr(6) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra. In the eighth O site, O(8) is bonded to two equivalent Zr(1) and two equivalent Zr(4) atoms to form a mixture of distorted corner and edge-sharing OZr4 tetrahedra. In the ninth O site, O(9) is bonded to two equivalent Zr(2) and two equivalent Zr(4) atoms to form a mixture of distorted corner and edge-sharing OZr4 tetrahedra. In the tenth O site, O(10) is bonded to two equivalent Zr(2) and two equivalent Zr(5) atoms to form a mixture of distorted corner and edge-sharing OZr4 tetrahedra. In the eleventh O site, O(11) is bonded to two equivalent Zr(3) and two equivalent Zr(6) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra.