SrMgCoO3 crystallizes in the triclinic P1 space group. Sr(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Mg(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO5 trigonal bipyramids that share  a cornercorner with one Co(1)O5 trigonal bipyramid, corners with four equivalent Mg(1)O5 trigonal bipyramids, and edges with four equivalent Co(1)O5 trigonal bipyramids. Co(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O5 trigonal bipyramid, corners with four equivalent Co(1)O5 trigonal bipyramids, and edges with four equivalent Mg(1)O5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Mg(1), and one Co(1) atom to form distorted OSr4MgCo octahedra that share corners with four equivalent O(1)Sr4MgCo octahedra, corners with six equivalent O(2)Sr2Mg2Co2 octahedra, corners with six equivalent O(3)Sr2Mg2Co2 octahedra, edges with four equivalent O(1)Sr4MgCo octahedra, faces with two equivalent O(2)Sr2Mg2Co2 octahedra, and faces with two equivalent O(3)Sr2Mg2Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-73°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Mg(1), and two equivalent Co(1) atoms to form distorted OSr2Mg2Co2 octahedra that share corners with two equivalent O(2)Sr2Mg2Co2 octahedra, corners with two equivalent O(3)Sr2Mg2Co2 octahedra, corners with six equivalent O(1)Sr4MgCo octahedra, edges with two equivalent O(2)Sr2Mg2Co2 octahedra, edges with five equivalent O(3)Sr2Mg2Co2 octahedra, and faces with two equivalent O(1)Sr4MgCo octahedra. The corner-sharing octahedral tilt angles range from 3-67°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Mg(1), and two equivalent Co(1) atoms to form distorted OSr2Mg2Co2 octahedra that share corners with two equivalent O(2)Sr2Mg2Co2 octahedra, corners with two equivalent O(3)Sr2Mg2Co2 octahedra, corners with six equivalent O(1)Sr4MgCo octahedra, edges with two equivalent O(3)Sr2Mg2Co2 octahedra, edges with five equivalent O(2)Sr2Mg2Co2 octahedra, and faces with two equivalent O(1)Sr4MgCo octahedra. The corner-sharing octahedral tilt angles range from 3-73°.
SrMgCoO3 crystallizes in the triclinic P1 space group. Sr(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. There is one shorter (2.58 Å) and one longer (2.75 Å) Sr(1)-O(2) bond length. There is one shorter (2.60 Å) and one longer (2.80 Å) Sr(1)-O(3) bond length. There are a spread of Sr(1)-O(1) bond distances ranging from 2.62-2.84 Å. Mg(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO5 trigonal bipyramids that share  a cornercorner with one Co(1)O5 trigonal bipyramid, corners with four equivalent Mg(1)O5 trigonal bipyramids, and edges with four equivalent Co(1)O5 trigonal bipyramids. The Mg(1)-O(1) bond length is 1.97 Å. There is one shorter (2.08 Å) and one longer (2.13 Å) Mg(1)-O(2) bond length. There is one shorter (2.02 Å) and one longer (2.03 Å) Mg(1)-O(3) bond length. Co(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O5 trigonal bipyramid, corners with four equivalent Co(1)O5 trigonal bipyramids, and edges with four equivalent Mg(1)O5 trigonal bipyramids. The Co(1)-O(1) bond length is 1.96 Å. There is one shorter (2.07 Å) and one longer (2.10 Å) Co(1)-O(2) bond length. There is one shorter (2.04 Å) and one longer (2.19 Å) Co(1)-O(3) bond length. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Mg(1), and one Co(1) atom to form distorted OSr4MgCo octahedra that share corners with four equivalent O(1)Sr4MgCo octahedra, corners with six equivalent O(2)Sr2Mg2Co2 octahedra, corners with six equivalent O(3)Sr2Mg2Co2 octahedra, edges with four equivalent O(1)Sr4MgCo octahedra, faces with two equivalent O(2)Sr2Mg2Co2 octahedra, and faces with two equivalent O(3)Sr2Mg2Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-73°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Mg(1), and two equivalent Co(1) atoms to form distorted OSr2Mg2Co2 octahedra that share corners with two equivalent O(2)Sr2Mg2Co2 octahedra, corners with two equivalent O(3)Sr2Mg2Co2 octahedra, corners with six equivalent O(1)Sr4MgCo octahedra, edges with two equivalent O(2)Sr2Mg2Co2 octahedra, edges with five equivalent O(3)Sr2Mg2Co2 octahedra, and faces with two equivalent O(1)Sr4MgCo octahedra. The corner-sharing octahedral tilt angles range from 3-67°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Mg(1), and two equivalent Co(1) atoms to form distorted OSr2Mg2Co2 octahedra that share corners with two equivalent O(2)Sr2Mg2Co2 octahedra, corners with two equivalent O(3)Sr2Mg2Co2 octahedra, corners with six equivalent O(1)Sr4MgCo octahedra, edges with two equivalent O(3)Sr2Mg2Co2 octahedra, edges with five equivalent O(2)Sr2Mg2Co2 octahedra, and faces with two equivalent O(1)Sr4MgCo octahedra. The corner-sharing octahedral tilt angles range from 3-73°.