SrTl2O4 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to one O(4), two equivalent O(2), and three equivalent O(3) atoms to form a mixture of edge and corner-sharing TlO6 octahedra. The corner-sharing octahedral tilt angles range from 50-66°. In the second Tl site, Tl(2) is bonded to one O(2), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of edge and corner-sharing TlO6 octahedra. The corner-sharing octahedral tilt angles range from 50-66°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1) and three equivalent Tl(2) atoms to form a mixture of distorted edge and corner-sharing OSr2Tl3 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Sr(1), one Tl(2), and two equivalent Tl(1) atoms to form a mixture of distorted edge and corner-sharing OSr2Tl3 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Sr(1) and three equivalent Tl(1) atoms to form a mixture of edge and corner-sharing OSr2Tl3 square pyramids. In the fourth O site, O(4) is bonded to two equivalent Sr(1), one Tl(1), and two equivalent Tl(2) atoms to form a mixture of distorted edge and corner-sharing OSr2Tl3 trigonal bipyramids.
SrTl2O4 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Both Sr(1)-O(1) bond lengths are 2.58 Å. There is one shorter (2.80 Å) and one longer (2.81 Å) Sr(1)-O(2) bond length. Both Sr(1)-O(3) bond lengths are 2.59 Å. Both Sr(1)-O(4) bond lengths are 2.65 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to one O(4), two equivalent O(2), and three equivalent O(3) atoms to form a mixture of edge and corner-sharing TlO6 octahedra. The corner-sharing octahedral tilt angles range from 50-66°. The Tl(1)-O(4) bond length is 2.28 Å. Both Tl(1)-O(2) bond lengths are 2.25 Å. There is one shorter (2.29 Å) and two longer (2.36 Å) Tl(1)-O(3) bond lengths. In the second Tl site, Tl(2) is bonded to one O(2), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of edge and corner-sharing TlO6 octahedra. The corner-sharing octahedral tilt angles range from 50-66°. The Tl(2)-O(2) bond length is 2.23 Å. Both Tl(2)-O(4) bond lengths are 2.34 Å. There is one shorter (2.17 Å) and two longer (2.41 Å) Tl(2)-O(1) bond lengths. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1) and three equivalent Tl(2) atoms to form a mixture of distorted edge and corner-sharing OSr2Tl3 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Sr(1), one Tl(2), and two equivalent Tl(1) atoms to form a mixture of distorted edge and corner-sharing OSr2Tl3 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Sr(1) and three equivalent Tl(1) atoms to form a mixture of edge and corner-sharing OSr2Tl3 square pyramids. In the fourth O site, O(4) is bonded to two equivalent Sr(1), one Tl(1), and two equivalent Tl(2) atoms to form a mixture of distorted edge and corner-sharing OSr2Tl3 trigonal bipyramids.