LiMg6SbO8 is alpha Po-derived structured and crystallizes in the tetragonal P4/mmm space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with four equivalent Sb(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, edges with four equivalent Mg(2)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. In the second Mg site, Mg(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Mg(2)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. In the third Mg site, Mg(3) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Mg(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. Sb(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form SbO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Mg(1), and four equivalent Mg(3) atoms to form OLiMg5 octahedra that share corners with six equivalent O(1)LiMg5 octahedra, edges with four equivalent O(3)Li2Mg2Sb2 octahedra, edges with four equivalent O(2)Mg5Sb octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to one Mg(2), four equivalent Mg(3), and one Sb(1) atom to form OMg5Sb octahedra that share corners with six equivalent O(2)Mg5Sb octahedra, edges with four equivalent O(3)Li2Mg2Sb2 octahedra, edges with four equivalent O(1)LiMg5 octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to two equivalent Li(1), two equivalent Mg(3), and two equivalent Sb(1) atoms to form OLi2Mg2Sb2 octahedra that share corners with two equivalent O(4)Mg6 octahedra, corners with four equivalent O(3)Li2Mg2Sb2 octahedra, edges with four equivalent O(3)Li2Mg2Sb2 octahedra, edges with four equivalent O(1)LiMg5 octahedra, and edges with four equivalent O(2)Mg5Sb octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms to form OMg6 octahedra that share corners with two equivalent O(3)Li2Mg2Sb2 octahedra, corners with four equivalent O(4)Mg6 octahedra, edges with four equivalent O(1)LiMg5 octahedra, edges with four equivalent O(2)Mg5Sb octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedra are not tilted.
LiMg6SbO8 is alpha Po-derived structured and crystallizes in the tetragonal P4/mmm space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with four equivalent Sb(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. Both Li(1)-O(1) bond lengths are 2.29 Å. All Li(1)-O(3) bond lengths are 2.18 Å. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, edges with four equivalent Mg(2)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. Both Mg(1)-O(1) bond lengths are 2.11 Å. All Mg(1)-O(4) bond lengths are 2.18 Å. In the second Mg site, Mg(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Mg(2)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. Both Mg(2)-O(2) bond lengths are 2.07 Å. All Mg(2)-O(4) bond lengths are 2.18 Å. In the third Mg site, Mg(3) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Mg(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. The Mg(3)-O(3) bond length is 2.28 Å. The Mg(3)-O(4) bond length is 2.12 Å. Both Mg(3)-O(1) bond lengths are 2.18 Å. Both Mg(3)-O(2) bond lengths are 2.18 Å. Sb(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form SbO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. Both Sb(1)-O(2) bond lengths are 2.33 Å. All Sb(1)-O(3) bond lengths are 2.18 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Mg(1), and four equivalent Mg(3) atoms to form OLiMg5 octahedra that share corners with six equivalent O(1)LiMg5 octahedra, edges with four equivalent O(3)Li2Mg2Sb2 octahedra, edges with four equivalent O(2)Mg5Sb octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to one Mg(2), four equivalent Mg(3), and one Sb(1) atom to form OMg5Sb octahedra that share corners with six equivalent O(2)Mg5Sb octahedra, edges with four equivalent O(3)Li2Mg2Sb2 octahedra, edges with four equivalent O(1)LiMg5 octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to two equivalent Li(1), two equivalent Mg(3), and two equivalent Sb(1) atoms to form OLi2Mg2Sb2 octahedra that share corners with two equivalent O(4)Mg6 octahedra, corners with four equivalent O(3)Li2Mg2Sb2 octahedra, edges with four equivalent O(3)Li2Mg2Sb2 octahedra, edges with four equivalent O(1)LiMg5 octahedra, and edges with four equivalent O(2)Mg5Sb octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms to form OMg6 octahedra that share corners with two equivalent O(3)Li2Mg2Sb2 octahedra, corners with four equivalent O(4)Mg6 octahedra, edges with four equivalent O(1)LiMg5 octahedra, edges with four equivalent O(2)Mg5Sb octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedra are not tilted.