Ca2Co12P7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 12-coordinate geometry to six equivalent Co(4) and six equivalent P(2) atoms. In the second Ca site, Ca(2) is bonded in a 18-coordinate geometry to three equivalent Co(3), three equivalent Co(4), six equivalent Co(1), and six equivalent P(3) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 4-coordinate geometry to two equivalent Ca(2), two equivalent P(2), and two equivalent P(3) atoms. In the second Co site, Co(2) is bonded in a 5-coordinate geometry to one P(3), two equivalent P(1), and two equivalent P(2) atoms. In the third Co site, Co(3) is bonded to one Ca(2), one P(1), one P(2), and two equivalent P(3) atoms to form distorted corner-sharing CoCaP4 tetrahedra. In the fourth Co site, Co(4) is bonded in a 4-coordinate geometry to one Ca(2), two equivalent Ca(1), two equivalent P(2), and two equivalent P(3) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to three equivalent Co(3) and six equivalent Co(2) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Ca(1), 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 two equivalent Ca(2), one Co(2), two equivalent Co(1), two equivalent Co(3), and two equivalent Co(4) atoms.
Ca2Co12P7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 12-coordinate geometry to six equivalent Co(4) and six equivalent P(2) atoms. All Ca(1)-Co(4) bond lengths are 2.92 Å. All Ca(1)-P(2) bond lengths are 2.83 Å. In the second Ca site, Ca(2) is bonded in a 18-coordinate geometry to three equivalent Co(3), three equivalent Co(4), six equivalent Co(1), and six equivalent P(3) atoms. All Ca(2)-Co(3) bond lengths are 3.09 Å. All Ca(2)-Co(4) bond lengths are 3.18 Å. All Ca(2)-Co(1) bond lengths are 2.95 Å. All Ca(2)-P(3) bond lengths are 2.86 Å. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 4-coordinate geometry to two equivalent Ca(2), two equivalent P(2), and two equivalent P(3) atoms. Both Co(1)-P(2) bond lengths are 2.26 Å. There is one shorter (2.26 Å) and one longer (2.33 Å) Co(1)-P(3) bond length. In the second Co site, Co(2) is bonded in a 5-coordinate geometry to one P(3), two equivalent P(1), and two equivalent P(2) atoms. The Co(2)-P(3) bond length is 2.22 Å. Both Co(2)-P(1) bond lengths are 2.56 Å. Both Co(2)-P(2) bond lengths are 2.41 Å. In the third Co site, Co(3) is bonded to one Ca(2), one P(1), one P(2), and two equivalent P(3) atoms to form distorted corner-sharing CoCaP4 tetrahedra. The Co(3)-P(1) bond length is 2.13 Å. The Co(3)-P(2) bond length is 2.19 Å. Both Co(3)-P(3) bond lengths are 2.27 Å. In the fourth Co site, Co(4) is bonded in a 4-coordinate geometry to one Ca(2), two equivalent Ca(1), two equivalent P(2), and two equivalent P(3) atoms. Both Co(4)-P(2) bond lengths are 2.26 Å. Both Co(4)-P(3) bond lengths are 2.28 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to three equivalent Co(3) and six equivalent Co(2) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Ca(1), 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 two equivalent Ca(2), one Co(2), two equivalent Co(1), two equivalent Co(3), and two equivalent Co(4) atoms.