SrTeO3 crystallizes in the triclinic P1 space group. There are six inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(16), one O(17), and one O(9) atom. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one O(15), one O(2), one O(3), one O(5), and one O(7) atom. In the third Sr site, Sr(3) is bonded in a distorted hexagonal bipyramidal geometry to one O(10), one O(14), one O(16), one O(17), one O(4), one O(6), one O(8), and one O(9) atom. In the fourth Sr site, Sr(4) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(3), one O(6), one O(7), and one O(8) atom. In the fifth Sr site, Sr(5) is bonded in a 7-coordinate geometry to one O(13), one O(16), one O(3), one O(6), one O(7), one O(8), and one O(9) atom. In the sixth Sr site, Sr(6) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(15), one O(17), one O(2), and one O(5) atom. There are six inequivalent Te sites. In the first Te site, Te(1) is bonded in a trigonal non-coplanar geometry to one O(13), one O(15), and one O(18) atom. In the second Te site, Te(2) is bonded in a distorted T-shaped geometry to one O(10), one O(11), and one O(17) atom. In the third Te site, Te(3) is bonded in a trigonal non-coplanar geometry to one O(1), one O(16), and one O(9) atom. In the fourth Te site, Te(4) is bonded in a distorted T-shaped geometry to one O(14), one O(6), and one O(8) atom. In the fifth Te site, Te(5) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(4), and one O(5) atom. In the sixth Te site, Te(6) is bonded in a distorted T-shaped geometry to one O(12), one O(3), and one O(7) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Sr(4) and one Te(3) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Sr(2), one Sr(6), and one Te(5) atom. In the third O site, O(3) is bonded to one Sr(2), one Sr(4), one Sr(5), and one Te(6) atom to form a mixture of distorted corner and edge-sharing OSr3Te tetrahedra. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Sr(3) and one Te(5) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Sr(2), one Sr(6), and one Te(5) atom. In the sixth O site, O(6) is bonded to one Sr(3), one Sr(4), one Sr(5), and one Te(4) atom to form a mixture of distorted corner and edge-sharing OSr3Te tetrahedra. In the seventh O site, O(7) is bonded to one Sr(2), one Sr(4), one Sr(5), and one Te(6) atom to form a mixture of distorted corner and edge-sharing OSr3Te tetrahedra. In the eighth O site, O(8) is bonded to one Sr(3), one Sr(4), one Sr(5), and one Te(4) atom to form a mixture of corner and edge-sharing OSr3Te tetrahedra. In the ninth O site, O(9) is bonded to one Sr(1), one Sr(3), one Sr(5), and one Te(3) atom to form a mixture of distorted corner and edge-sharing OSr3Te tetrahedra. In the tenth O site, O(10) is bonded to one Sr(1), one Sr(3), one Sr(6), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OSr3Te trigonal pyramids. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Sr(1), one Sr(4), and one Te(2) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Sr(1) and one Te(6) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Sr(5) and one Te(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Sr(3), one Sr(6), and one Te(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Sr(2), one Sr(6), and one Te(1) atom. In the sixteenth O site, O(16) is bonded to one Sr(1), one Sr(3), one Sr(5), and one Te(3) atom to form a mixture of distorted corner and edge-sharing OSr3Te tetrahedra. In the seventeenth O site, O(17) is bonded to one Sr(1), one Sr(3), one Sr(6), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OSr3Te trigonal pyramids. In the eighteenth O site, O(18) is bonded in a single-bond geometry to one Te(1) atom.
SrTeO3 crystallizes in the triclinic P1 space group. There are six inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(16), one O(17), and one O(9) atom. The Sr(1)-O(10) bond length is 2.51 Å. The Sr(1)-O(11) bond length is 2.73 Å. The Sr(1)-O(12) bond length is 2.44 Å. The Sr(1)-O(16) bond length is 2.50 Å. The Sr(1)-O(17) bond length is 2.72 Å. The Sr(1)-O(9) bond length is 2.61 Å. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one O(15), one O(2), one O(3), one O(5), and one O(7) atom. The Sr(2)-O(15) bond length is 2.49 Å. The Sr(2)-O(2) bond length is 2.48 Å. The Sr(2)-O(3) bond length is 2.43 Å. The Sr(2)-O(5) bond length is 2.54 Å. The Sr(2)-O(7) bond length is 2.60 Å. In the third Sr site, Sr(3) is bonded in a distorted hexagonal bipyramidal geometry to one O(10), one O(14), one O(16), one O(17), one O(4), one O(6), one O(8), and one O(9) atom. The Sr(3)-O(10) bond length is 2.84 Å. The Sr(3)-O(14) bond length is 2.69 Å. The Sr(3)-O(16) bond length is 2.81 Å. The Sr(3)-O(17) bond length is 2.76 Å. The Sr(3)-O(4) bond length is 2.45 Å. The Sr(3)-O(6) bond length is 2.72 Å. The Sr(3)-O(8) bond length is 2.62 Å. The Sr(3)-O(9) bond length is 2.75 Å. In the fourth Sr site, Sr(4) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(3), one O(6), one O(7), and one O(8) atom. The Sr(4)-O(1) bond length is 2.51 Å. The Sr(4)-O(11) bond length is 2.41 Å. The Sr(4)-O(3) bond length is 2.66 Å. The Sr(4)-O(6) bond length is 2.52 Å. The Sr(4)-O(7) bond length is 2.63 Å. The Sr(4)-O(8) bond length is 2.66 Å. In the fifth Sr site, Sr(5) is bonded in a 7-coordinate geometry to one O(13), one O(16), one O(3), one O(6), one O(7), one O(8), and one O(9) atom. The Sr(5)-O(13) bond length is 2.47 Å. The Sr(5)-O(16) bond length is 2.60 Å. The Sr(5)-O(3) bond length is 2.70 Å. The Sr(5)-O(6) bond length is 2.64 Å. The Sr(5)-O(7) bond length is 2.69 Å. The Sr(5)-O(8) bond length is 2.66 Å. The Sr(5)-O(9) bond length is 2.59 Å. In the sixth Sr site, Sr(6) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(15), one O(17), one O(2), and one O(5) atom. The Sr(6)-O(10) bond length is 2.82 Å. The Sr(6)-O(14) bond length is 2.45 Å. The Sr(6)-O(15) bond length is 2.56 Å. The Sr(6)-O(17) bond length is 2.51 Å. The Sr(6)-O(2) bond length is 2.46 Å. The Sr(6)-O(5) bond length is 2.48 Å. There are six inequivalent Te sites. In the first Te site, Te(1) is bonded in a trigonal non-coplanar geometry to one O(13), one O(15), and one O(18) atom. The Te(1)-O(13) bond length is 1.90 Å. The Te(1)-O(15) bond length is 1.92 Å. The Te(1)-O(18) bond length is 1.84 Å. In the second Te site, Te(2) is bonded in a distorted T-shaped geometry to one O(10), one O(11), and one O(17) atom. The Te(2)-O(10) bond length is 1.89 Å. The Te(2)-O(11) bond length is 1.88 Å. The Te(2)-O(17) bond length is 1.90 Å. In the third Te site, Te(3) is bonded in a trigonal non-coplanar geometry to one O(1), one O(16), and one O(9) atom. The Te(3)-O(1) bond length is 1.86 Å. The Te(3)-O(16) bond length is 1.92 Å. The Te(3)-O(9) bond length is 1.91 Å. In the fourth Te site, Te(4) is bonded in a distorted T-shaped geometry to one O(14), one O(6), and one O(8) atom. The Te(4)-O(14) bond length is 1.88 Å. The Te(4)-O(6) bond length is 1.90 Å. The Te(4)-O(8) bond length is 1.90 Å. In the fifth Te site, Te(5) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(4), and one O(5) atom. The Te(5)-O(2) bond length is 1.89 Å. The Te(5)-O(4) bond length is 1.87 Å. The Te(5)-O(5) bond length is 1.92 Å. In the sixth Te site, Te(6) is bonded in a distorted T-shaped geometry to one O(12), one O(3), and one O(7) atom. The Te(6)-O(12) bond length is 1.88 Å. The Te(6)-O(3) bond length is 1.90 Å. The Te(6)-O(7) bond length is 1.92 Å. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Sr(4) and one Te(3) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Sr(2), one Sr(6), and one Te(5) atom. In the third O site, O(3) is bonded to one Sr(2), one Sr(4), one Sr(5), and one Te(6) atom to form a mixture of distorted corner and edge-sharing OSr3Te tetrahedra. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Sr(3) and one Te(5) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Sr(2), one Sr(6), and one Te(5) atom. In the sixth O site, O(6) is bonded to one Sr(3), one Sr(4), one Sr(5), and one Te(4) atom to form a mixture of distorted corner and edge-sharing OSr3Te tetrahedra. In the seventh O site, O(7) is bonded to one Sr(2), one Sr(4), one Sr(5), and one Te(6) atom to form a mixture of distorted corner and edge-sharing OSr3Te tetrahedra. In the eighth O site, O(8) is bonded to one Sr(3), one Sr(4), one Sr(5), and one Te(4) atom to form a mixture of corner and edge-sharing OSr3Te tetrahedra. In the ninth O site, O(9) is bonded to one Sr(1), one Sr(3), one Sr(5), and one Te(3) atom to form a mixture of distorted corner and edge-sharing OSr3Te tetrahedra. In the tenth O site, O(10) is bonded to one Sr(1), one Sr(3), one Sr(6), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OSr3Te trigonal pyramids. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Sr(1), one Sr(4), and one Te(2) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Sr(1) and one Te(6) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Sr(5) and one Te(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Sr(3), one Sr(6), and one Te(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Sr(2), one Sr(6), and one Te(1) atom. In the sixteenth O site, O(16) is bonded to one Sr(1), one Sr(3), one Sr(5), and one Te(3) atom to form a mixture of distorted corner and edge-sharing OSr3Te tetrahedra. In the seventeenth O site, O(17) is bonded to one Sr(1), one Sr(3), one Sr(6), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OSr3Te trigonal pyramids. In the eighteenth O site, O(18) is bonded in a single-bond geometry to one Te(1) atom.