CaCo3P3O13 crystallizes in the monoclinic P2_1/m space group. Ca(1) is bonded to one O(9), two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form distorted CaO7 pentagonal bipyramids that share corners with two equivalent Co(3)O6 octahedra, corners with three equivalent Co(1)O6 octahedra, corners with three equivalent P(3)O4 tetrahedra, corners with two equivalent Co(2)O5 trigonal bipyramids,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-60°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(5), one O(6), one O(9), and two equivalent O(8) atoms to form distorted CoO6 octahedra that share corners with two equivalent Co(3)O6 octahedra, corners with three equivalent Ca(1)O7 pentagonal bipyramids,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Co(2)O5 trigonal bipyramid, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. In the second Co site, Co(2) is bonded to one O(1), one O(3), one O(7), and two equivalent O(2) atoms to form CoO5 trigonal bipyramids that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Ca(1)O7 pentagonal bipyramids,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the third Co site, Co(3) is bonded to two equivalent O(10), two equivalent O(4), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Ca(1)O7 pentagonal bipyramids, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(7), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with three equivalent Co(2)O5 trigonal bipyramids, and  an edgeedge with one Ca(1)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 38°. In the second P site, P(2) is bonded to one O(10), one O(3), and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  a cornercorner with one Co(2)O5 trigonal bipyramid, and  an edgeedge with one Ca(1)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 44-57°. In the third P site, P(3) is bonded to one O(1), one O(9), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Co(3)O6 octahedra, corners with three equivalent Ca(1)O7 pentagonal bipyramids,  a cornercorner with one Co(2)O5 trigonal bipyramid, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are ten inequivalent O sites. In the first O site, O(10) is bonded in a distorted trigonal planar geometry to two equivalent Co(3) and one P(2) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one P(3) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one Co(2), and one P(1) atom. In the fourth O site, O(3) is bonded in a linear geometry to one Co(2) and one P(2) atom. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one Co(3), and one P(3) atom. In the sixth O site, O(5) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. In the seventh O site, O(6) is bonded in a trigonal planar geometry to one Co(1) and two equivalent Co(3) atoms. In the eighth O site, O(7) is bonded in a bent 150 degrees geometry to one Co(2) and one P(1) atom. In the ninth O site, O(8) is bonded in a 3-coordinate geometry to one Ca(1), one Co(1), and one P(2) atom. In the tenth O site, O(9) is bonded in a 3-coordinate geometry to one Ca(1), one Co(1), and one P(3) atom.
CaCo3P3O13 crystallizes in the monoclinic P2_1/m space group. Ca(1) is bonded to one O(9), two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form distorted CaO7 pentagonal bipyramids that share corners with two equivalent Co(3)O6 octahedra, corners with three equivalent Co(1)O6 octahedra, corners with three equivalent P(3)O4 tetrahedra, corners with two equivalent Co(2)O5 trigonal bipyramids,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-60°. The Ca(1)-O(9) bond length is 2.41 Å. Both Ca(1)-O(2) bond lengths are 2.57 Å. Both Ca(1)-O(4) bond lengths are 2.44 Å. Both Ca(1)-O(8) bond lengths are 2.48 Å. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(5), one O(6), one O(9), and two equivalent O(8) atoms to form distorted CoO6 octahedra that share corners with two equivalent Co(3)O6 octahedra, corners with three equivalent Ca(1)O7 pentagonal bipyramids,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Co(2)O5 trigonal bipyramid, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. The Co(1)-O(1) bond length is 2.17 Å. The Co(1)-O(5) bond length is 1.92 Å. The Co(1)-O(6) bond length is 1.86 Å. The Co(1)-O(9) bond length is 2.16 Å. Both Co(1)-O(8) bond lengths are 1.99 Å. In the second Co site, Co(2) is bonded to one O(1), one O(3), one O(7), and two equivalent O(2) atoms to form CoO5 trigonal bipyramids that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Ca(1)O7 pentagonal bipyramids,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. The Co(2)-O(1) bond length is 1.99 Å. The Co(2)-O(3) bond length is 1.90 Å. The Co(2)-O(7) bond length is 1.82 Å. Both Co(2)-O(2) bond lengths are 2.00 Å. In the third Co site, Co(3) is bonded to two equivalent O(10), two equivalent O(4), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Ca(1)O7 pentagonal bipyramids, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. Both Co(3)-O(10) bond lengths are 2.11 Å. Both Co(3)-O(4) bond lengths are 2.00 Å. Both Co(3)-O(6) bond lengths are 1.98 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(7), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with three equivalent Co(2)O5 trigonal bipyramids, and  an edgeedge with one Ca(1)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 38°. The P(1)-O(5) bond length is 1.53 Å. The P(1)-O(7) bond length is 1.56 Å. Both P(1)-O(2) bond lengths are 1.55 Å. In the second P site, P(2) is bonded to one O(10), one O(3), and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  a cornercorner with one Co(2)O5 trigonal bipyramid, and  an edgeedge with one Ca(1)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 44-57°. The P(2)-O(10) bond length is 1.56 Å. The P(2)-O(3) bond length is 1.53 Å. Both P(2)-O(8) bond lengths are 1.55 Å. In the third P site, P(3) is bonded to one O(1), one O(9), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Co(3)O6 octahedra, corners with three equivalent Ca(1)O7 pentagonal bipyramids,  a cornercorner with one Co(2)O5 trigonal bipyramid, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. The P(3)-O(1) bond length is 1.56 Å. The P(3)-O(9) bond length is 1.55 Å. Both P(3)-O(4) bond lengths are 1.55 Å. There are ten inequivalent O sites. In the first O site, O(10) is bonded in a distorted trigonal planar geometry to two equivalent Co(3) and one P(2) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one P(3) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one Co(2), and one P(1) atom. In the fourth O site, O(3) is bonded in a linear geometry to one Co(2) and one P(2) atom. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one Co(3), and one P(3) atom. In the sixth O site, O(5) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. In the seventh O site, O(6) is bonded in a trigonal planar geometry to one Co(1) and two equivalent Co(3) atoms. In the eighth O site, O(7) is bonded in a bent 150 degrees geometry to one Co(2) and one P(1) atom. In the ninth O site, O(8) is bonded in a 3-coordinate geometry to one Ca(1), one Co(1), and one P(2) atom. In the tenth O site, O(9) is bonded in a 3-coordinate geometry to one Ca(1), one Co(1), and one P(3) atom.