Co3Sn(PO4)4 crystallizes in the monoclinic Pm space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form distorted CoO6 octahedra that share corners with four equivalent Co(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. In the second Co site, Co(2) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms to form distorted CoO6 octahedra that share corners with four equivalent Sn(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the third Co site, Co(3) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form distorted CoO6 octahedra that share corners with four equivalent Co(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. Sn(1) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form SnO6 octahedra that share corners with four equivalent Co(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. In the second P site, P(2) is bonded to one O(6), one O(9), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and  an edgeedge with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-57°. In the third P site, P(3) is bonded to one O(4), one O(7), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-56°. In the fourth P site, P(4) is bonded to one O(12), one O(3), and two equivalent O(11) atoms to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-56°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Co(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Co(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Co(2), one Sn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Co(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Co(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Co(3) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Co(2), one Sn(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Co(1) and one P(4) atom.
Co3Sn(PO4)4 crystallizes in the monoclinic Pm space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form distorted CoO6 octahedra that share corners with four equivalent Co(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. The Co(1)-O(12) bond length is 1.91 Å. The Co(1)-O(4) bond length is 1.85 Å. Both Co(1)-O(2) bond lengths are 2.14 Å. Both Co(1)-O(8) bond lengths are 2.10 Å. In the second Co site, Co(2) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms to form distorted CoO6 octahedra that share corners with four equivalent Sn(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. The Co(2)-O(3) bond length is 1.96 Å. The Co(2)-O(7) bond length is 1.96 Å. Both Co(2)-O(11) bond lengths are 2.25 Å. Both Co(2)-O(5) bond lengths are 2.14 Å. In the third Co site, Co(3) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form distorted CoO6 octahedra that share corners with four equivalent Co(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. The Co(3)-O(10) bond length is 1.88 Å. The Co(3)-O(6) bond length is 1.91 Å. Both Co(3)-O(2) bond lengths are 2.12 Å. Both Co(3)-O(8) bond lengths are 2.11 Å. Sn(1) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form SnO6 octahedra that share corners with four equivalent Co(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. The Sn(1)-O(1) bond length is 2.01 Å. The Sn(1)-O(9) bond length is 2.02 Å. Both Sn(1)-O(11) bond lengths are 2.10 Å. Both Sn(1)-O(5) bond lengths are 2.17 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. The P(1)-O(1) bond length is 1.55 Å. The P(1)-O(10) bond length is 1.54 Å. Both P(1)-O(2) bond lengths are 1.56 Å. In the second P site, P(2) is bonded to one O(6), one O(9), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and  an edgeedge with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-57°. The P(2)-O(6) bond length is 1.53 Å. The P(2)-O(9) bond length is 1.54 Å. Both P(2)-O(5) bond lengths are 1.58 Å. In the third P site, P(3) is bonded to one O(4), one O(7), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-56°. The P(3)-O(4) bond length is 1.55 Å. The P(3)-O(7) bond length is 1.51 Å. Both P(3)-O(8) bond lengths are 1.58 Å. In the fourth P site, P(4) is bonded to one O(12), one O(3), and two equivalent O(11) atoms to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-56°. The P(4)-O(12) bond length is 1.53 Å. The P(4)-O(3) bond length is 1.51 Å. Both P(4)-O(11) bond lengths are 1.60 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Co(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Co(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Co(2), one Sn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Co(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Co(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Co(3) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Co(2), one Sn(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Co(1) and one P(4) atom.