Mg14TiFeO16 is alpha Po-derived structured and crystallizes in the tetragonal P4/mmm space group. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra; corners with two equivalent Ti(1)O6 octahedra; corners with two equivalent Fe(1)O6 octahedra; edges with four Mg(2,2)O6 octahedra; edges with four Mg(3,3)O6 octahedra; and edges with four equivalent Mg(4)O6 octahedra. The corner-sharing octahedra are not tilted. In the second Mg site, Mg(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(3)O6 octahedra; corners with four Mg(2,2)O6 octahedra; edges with two equivalent Mg(1)O6 octahedra; edges with two Mg(2,2)O6 octahedra; edges with two Mg(3,3)O6 octahedra; edges with two equivalent Fe(1)O6 octahedra; and edges with four equivalent Mg(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third Mg site, Mg(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(3)O6 octahedra; corners with four Mg(2,2)O6 octahedra; edges with two equivalent Mg(1)O6 octahedra; edges with two Mg(2,2)O6 octahedra; edges with two Mg(3,3)O6 octahedra; edges with two equivalent Fe(1)O6 octahedra; and edges with four equivalent Mg(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth Mg site, Mg(3) is bonded to one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra; corners with four Mg(3,3)O6 octahedra; edges with two equivalent Mg(1)O6 octahedra; edges with two Mg(2,2)O6 octahedra; edges with two Mg(3,3)O6 octahedra; edges with two equivalent Ti(1)O6 octahedra; and edges with four equivalent Mg(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fifth Mg site, Mg(3) is bonded to one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra; corners with four Mg(3,3)O6 octahedra; edges with two equivalent Mg(1)O6 octahedra; edges with two Mg(2,2)O6 octahedra; edges with two Mg(3,3)O6 octahedra; edges with two equivalent Ti(1)O6 octahedra; and edges with four equivalent Mg(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the sixth Mg site, Mg(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Mg(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with four equivalent Mg(2)O6 octahedra, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. Ti(1) is bonded to two equivalent O(6) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra; corners with four equivalent Mg(1)O6 octahedra; edges with four equivalent Mg(4)O6 octahedra; and edges with eight Mg(3,3)O6 octahedra. The corner-sharing octahedra are not tilted. Fe(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra; corners with four equivalent Mg(1)O6 octahedra; edges with four equivalent Mg(4)O6 octahedra; and edges with eight Mg(2,2)O6 octahedra. The corner-sharing octahedra are not tilted. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Mg(2), two equivalent Mg(4), and one Fe(1) atom to form OMg5Fe octahedra that share corners with two equivalent O(2)Mg5Ti octahedra, corners with four equivalent O(1)Mg5Fe octahedra, edges with two equivalent O(4)Mg4Fe2 octahedra, edges with two equivalent O(1)Mg5Fe octahedra, edges with two equivalent O(2)Mg5Ti octahedra, edges with two equivalent O(5)Mg6 octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to one Mg(1), two equivalent Mg(3), two equivalent Mg(4), and one Ti(1) atom to form OMg5Ti octahedra that share corners with two equivalent O(1)Mg5Fe octahedra, corners with four equivalent O(2)Mg5Ti octahedra, edges with two equivalent O(6)Mg4Ti2 octahedra, edges with two equivalent O(1)Mg5Fe octahedra, edges with two equivalent O(2)Mg5Ti octahedra, edges with two equivalent O(5)Mg6 octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form OMg6 octahedra that share corners with six equivalent O(3)Mg6 octahedra,  an edgeedge with one O(4)Mg4Fe2 octahedra,  an edgeedge with one O(6)Mg4Ti2 octahedra, edges with two equivalent O(5)Mg6 octahedra, edges with four equivalent O(1)Mg5Fe octahedra, and edges with four equivalent O(2)Mg5Ti octahedra. The corner-sharing octahedral tilt angles are 1°. In the fourth O site, O(4) is bonded to four Mg(2,2) and two equivalent Fe(1) atoms to form OMg4Fe2 octahedra that share corners with two equivalent O(4)Mg4Fe2 octahedra, corners with four equivalent O(5)Mg6 octahedra, edges with four equivalent O(3)Mg6 octahedra, and edges with eight equivalent O(1)Mg5Fe octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(5) is bonded to two equivalent Mg(1); two Mg(2,2); and two Mg(3,3) atoms to form OMg6 octahedra that share corners with two equivalent O(4)Mg4Fe2 octahedra, corners with two equivalent O(6)Mg4Ti2 octahedra, corners with two equivalent O(5)Mg6 octahedra, edges with four equivalent O(1)Mg5Fe octahedra, edges with four equivalent O(2)Mg5Ti octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded to four Mg(3,3) and two equivalent Ti(1) atoms to form OMg4Ti2 octahedra that share corners with two equivalent O(6)Mg4Ti2 octahedra, corners with four equivalent O(5)Mg6 octahedra, edges with four equivalent O(3)Mg6 octahedra, and edges with eight equivalent O(2)Mg5Ti octahedra. The corner-sharing octahedra are not tilted.
Mg14TiFeO16 is alpha Po-derived structured and crystallizes in the tetragonal P4/mmm space group. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra; corners with two equivalent Ti(1)O6 octahedra; corners with two equivalent Fe(1)O6 octahedra; edges with four Mg(2,2)O6 octahedra; edges with four Mg(3,3)O6 octahedra; and edges with four equivalent Mg(4)O6 octahedra. The corner-sharing octahedra are not tilted. Both Mg(1)-O(1) bond lengths are 2.11 Å. Both Mg(1)-O(2) bond lengths are 2.10 Å. Both Mg(1)-O(5) bond lengths are 2.13 Å. In the second Mg site, Mg(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(3)O6 octahedra; corners with four Mg(2,2)O6 octahedra; edges with two equivalent Mg(1)O6 octahedra; edges with two Mg(2,2)O6 octahedra; edges with two Mg(3,3)O6 octahedra; edges with two equivalent Fe(1)O6 octahedra; and edges with four equivalent Mg(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. The Mg(2)-O(4) bond length is 2.17 Å. The Mg(2)-O(5) bond length is 2.13 Å. Both Mg(2)-O(1) bond lengths are 2.13 Å. Both Mg(2)-O(3) bond lengths are 2.15 Å. In the third Mg site, Mg(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(3)O6 octahedra; corners with four Mg(2,2)O6 octahedra; edges with two equivalent Mg(1)O6 octahedra; edges with two Mg(2,2)O6 octahedra; edges with two Mg(3,3)O6 octahedra; edges with two equivalent Fe(1)O6 octahedra; and edges with four equivalent Mg(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. The Mg(2)-O(4) bond length is 2.17 Å. The Mg(2)-O(5) bond length is 2.13 Å. Both Mg(2)-O(1) bond lengths are 2.13 Å. Both Mg(2)-O(3) bond lengths are 2.15 Å. In the fourth Mg site, Mg(3) is bonded to one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra; corners with four Mg(3,3)O6 octahedra; edges with two equivalent Mg(1)O6 octahedra; edges with two Mg(2,2)O6 octahedra; edges with two Mg(3,3)O6 octahedra; edges with two equivalent Ti(1)O6 octahedra; and edges with four equivalent Mg(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. The Mg(3)-O(5) bond length is 2.13 Å. The Mg(3)-O(6) bond length is 2.17 Å. Both Mg(3)-O(2) bond lengths are 2.13 Å. Both Mg(3)-O(3) bond lengths are 2.15 Å. In the fifth Mg site, Mg(3) is bonded to one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra; corners with four Mg(3,3)O6 octahedra; edges with two equivalent Mg(1)O6 octahedra; edges with two Mg(2,2)O6 octahedra; edges with two Mg(3,3)O6 octahedra; edges with two equivalent Ti(1)O6 octahedra; and edges with four equivalent Mg(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. The Mg(3)-O(5) bond length is 2.13 Å. The Mg(3)-O(6) bond length is 2.17 Å. Both Mg(3)-O(2) bond lengths are 2.13 Å. Both Mg(3)-O(3) bond lengths are 2.15 Å. In the sixth Mg site, Mg(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Mg(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with four equivalent Mg(2)O6 octahedra, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. Both Mg(4)-O(1) bond lengths are 2.14 Å. Both Mg(4)-O(2) bond lengths are 2.16 Å. Both Mg(4)-O(3) bond lengths are 2.13 Å. Ti(1) is bonded to two equivalent O(6) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra; corners with four equivalent Mg(1)O6 octahedra; edges with four equivalent Mg(4)O6 octahedra; and edges with eight Mg(3,3)O6 octahedra. The corner-sharing octahedra are not tilted. Both Ti(1)-O(6) bond lengths are 2.13 Å. All Ti(1)-O(2) bond lengths are 2.20 Å. Fe(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra; corners with four equivalent Mg(1)O6 octahedra; edges with four equivalent Mg(4)O6 octahedra; and edges with eight Mg(2,2)O6 octahedra. The corner-sharing octahedra are not tilted. Both Fe(1)-O(4) bond lengths are 2.13 Å. All Fe(1)-O(1) bond lengths are 2.19 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Mg(2), two equivalent Mg(4), and one Fe(1) atom to form OMg5Fe octahedra that share corners with two equivalent O(2)Mg5Ti octahedra, corners with four equivalent O(1)Mg5Fe octahedra, edges with two equivalent O(4)Mg4Fe2 octahedra, edges with two equivalent O(1)Mg5Fe octahedra, edges with two equivalent O(2)Mg5Ti octahedra, edges with two equivalent O(5)Mg6 octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to one Mg(1), two equivalent Mg(3), two equivalent Mg(4), and one Ti(1) atom to form OMg5Ti octahedra that share corners with two equivalent O(1)Mg5Fe octahedra, corners with four equivalent O(2)Mg5Ti octahedra, edges with two equivalent O(6)Mg4Ti2 octahedra, edges with two equivalent O(1)Mg5Fe octahedra, edges with two equivalent O(2)Mg5Ti octahedra, edges with two equivalent O(5)Mg6 octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form OMg6 octahedra that share corners with six equivalent O(3)Mg6 octahedra,  an edgeedge with one O(4)Mg4Fe2 octahedra,  an edgeedge with one O(6)Mg4Ti2 octahedra, edges with two equivalent O(5)Mg6 octahedra, edges with four equivalent O(1)Mg5Fe octahedra, and edges with four equivalent O(2)Mg5Ti octahedra. The corner-sharing octahedral tilt angles are 1°. In the fourth O site, O(4) is bonded to four Mg(2,2) and two equivalent Fe(1) atoms to form OMg4Fe2 octahedra that share corners with two equivalent O(4)Mg4Fe2 octahedra, corners with four equivalent O(5)Mg6 octahedra, edges with four equivalent O(3)Mg6 octahedra, and edges with eight equivalent O(1)Mg5Fe octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(5) is bonded to two equivalent Mg(1); two Mg(2,2); and two Mg(3,3) atoms to form OMg6 octahedra that share corners with two equivalent O(4)Mg4Fe2 octahedra, corners with two equivalent O(6)Mg4Ti2 octahedra, corners with two equivalent O(5)Mg6 octahedra, edges with four equivalent O(1)Mg5Fe octahedra, edges with four equivalent O(2)Mg5Ti octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded to four Mg(3,3) and two equivalent Ti(1) atoms to form OMg4Ti2 octahedra that share corners with two equivalent O(6)Mg4Ti2 octahedra, corners with four equivalent O(5)Mg6 octahedra, edges with four equivalent O(3)Mg6 octahedra, and edges with eight equivalent O(2)Mg5Ti octahedra. The corner-sharing octahedra are not tilted.