Sr2MgTiFeO6 crystallizes in the orthorhombic Immm space group. Sr(1) is bonded in a 9-coordinate geometry to one Mg(1), four equivalent O(1), and four equivalent O(2) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent Sr(1) and four equivalent O(2) atoms. Ti(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to four equivalent Sr(1), one Ti(1), and one Fe(1) atom. In the second O site, O(2) is bonded to two equivalent Sr(1), one Mg(1), one Ti(1), and one Fe(1) atom to form a mixture of distorted edge, corner, and face-sharing OSr2MgTiFe trigonal bipyramids.
Sr2MgTiFeO6 crystallizes in the orthorhombic Immm space group. Sr(1) is bonded in a 9-coordinate geometry to one Mg(1), four equivalent O(1), and four equivalent O(2) atoms. The Sr(1)-Mg(1) bond length is 2.97 Å. There are two shorter (2.84 Å) and two longer (2.98 Å) Sr(1)-O(1) bond lengths. All Sr(1)-O(2) bond lengths are 2.64 Å. Mg(1) is bonded in a square co-planar geometry to two equivalent Sr(1) and four equivalent O(2) atoms. All Mg(1)-O(2) bond lengths are 1.99 Å. Ti(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Both Ti(1)-O(1) bond lengths are 2.03 Å. All Ti(1)-O(2) bond lengths are 1.97 Å. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Both Fe(1)-O(1) bond lengths are 2.64 Å. All Fe(1)-O(2) bond lengths are 2.03 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to four equivalent Sr(1), one Ti(1), and one Fe(1) atom. In the second O site, O(2) is bonded to two equivalent Sr(1), one Mg(1), one Ti(1), and one Fe(1) atom to form a mixture of distorted edge, corner, and face-sharing OSr2MgTiFe trigonal bipyramids.