Mg2Co12P7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 12-coordinate geometry to six equivalent Co(1) and six equivalent P(1) atoms. In the second Mg site, Mg(2) is bonded to six equivalent Co(4) and six equivalent P(2) atoms to form distorted MgCo6P6 cuboctahedra that share corners with six equivalent Co(3)P4 tetrahedra and faces with two equivalent Mg(2)Co6P6 cuboctahedra. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1), two equivalent P(1), and two equivalent P(2) atoms. In the second Co site, Co(2) is bonded in a 5-coordinate geometry to one P(1), two equivalent P(2), and two equivalent P(3) atoms. In the third Co site, Co(3) is bonded to one P(2), one P(3), and two equivalent P(1) atoms to form distorted CoP4 tetrahedra that share corners with two equivalent Mg(2)Co6P6 cuboctahedra and corners with four equivalent Co(3)P4 tetrahedra. In the fourth Co site, Co(4) is bonded in a 4-coordinate geometry to two equivalent Mg(2), two equivalent P(1), and two equivalent P(2) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Mg(1), one Co(2), two equivalent Co(1), two equivalent Co(3), and two equivalent Co(4) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Mg(2), one Co(3), two equivalent Co(1), two equivalent Co(2), and two equivalent Co(4) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to three equivalent Co(3) and six equivalent Co(2) atoms.
Mg2Co12P7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 12-coordinate geometry to six equivalent Co(1) and six equivalent P(1) atoms. All Mg(1)-Co(1) bond lengths are 2.85 Å. All Mg(1)-P(1) bond lengths are 2.79 Å. In the second Mg site, Mg(2) is bonded to six equivalent Co(4) and six equivalent P(2) atoms to form distorted MgCo6P6 cuboctahedra that share corners with six equivalent Co(3)P4 tetrahedra and faces with two equivalent Mg(2)Co6P6 cuboctahedra. All Mg(2)-Co(4) bond lengths are 2.82 Å. All Mg(2)-P(2) bond lengths are 2.78 Å. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1), two equivalent P(1), and two equivalent P(2) atoms. There is one shorter (2.18 Å) and one longer (2.26 Å) Co(1)-P(1) bond length. Both Co(1)-P(2) bond lengths are 2.28 Å. In the second Co site, Co(2) is bonded in a 5-coordinate geometry to one P(1), two equivalent P(2), and two equivalent P(3) atoms. The Co(2)-P(1) bond length is 2.24 Å. Both Co(2)-P(2) bond lengths are 2.35 Å. Both Co(2)-P(3) bond lengths are 2.55 Å. In the third Co site, Co(3) is bonded to one P(2), one P(3), and two equivalent P(1) atoms to form distorted CoP4 tetrahedra that share corners with two equivalent Mg(2)Co6P6 cuboctahedra and corners with four equivalent Co(3)P4 tetrahedra. The Co(3)-P(2) bond length is 2.20 Å. The Co(3)-P(3) bond length is 2.14 Å. Both Co(3)-P(1) bond lengths are 2.22 Å. In the fourth Co site, Co(4) is bonded in a 4-coordinate geometry to two equivalent Mg(2), two equivalent P(1), and two equivalent P(2) atoms. Both Co(4)-P(1) bond lengths are 2.29 Å. There is one shorter (2.19 Å) and one longer (2.20 Å) Co(4)-P(2) bond length. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Mg(1), one Co(2), two equivalent Co(1), two equivalent Co(3), and two equivalent Co(4) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Mg(2), one Co(3), two equivalent Co(1), two equivalent Co(2), and two equivalent Co(4) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to three equivalent Co(3) and six equivalent Co(2) atoms.