Co7P6(HO6)4 crystallizes in the triclinic P-1 space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one O(4), one O(8), and two equivalent O(11) atoms to form CoO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one Co(2)O5 trigonal bipyramid. In the second Co site, Co(2) is bonded to one O(10), one O(3), one O(4), one O(5), and one O(6) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles are 67°. In the third Co site, Co(3) is bonded to one O(10), one O(2), one O(5), one O(9), and two equivalent O(7) atoms to form CoO6 octahedra that share  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Co(3)O6 octahedra, and  an edgeedge with one Co(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 62°. In the fourth Co site, Co(4) is bonded to two equivalent O(12), two equivalent O(2), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Co(3)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent Co(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(2), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, and corners with two equivalent Co(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 43-62°. In the second P site, P(2) is bonded to one O(3), one O(6), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent Co(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 33-58°. In the third P site, P(3) is bonded to one O(11), one O(12), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with three equivalent Co(3)O6 octahedra, and  a cornercorner with one Co(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 26-55°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(12) atom. In the second H site, H(2) is bonded in a linear geometry to one O(8) and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Co(1), one P(1), and one H(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(3), one Co(4), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Co(3) and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Co(1), one P(2), and one H(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Co(3), one P(2), and one H(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Co(2), one Co(3), and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to two equivalent Co(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Co(4), one P(3), and one H(1) atom.
Co7P6(HO6)4 crystallizes in the triclinic P-1 space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one O(4), one O(8), and two equivalent O(11) atoms to form CoO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one Co(2)O5 trigonal bipyramid. The Co(1)-O(1) bond length is 2.09 Å. The Co(1)-O(3) bond length is 2.11 Å. The Co(1)-O(4) bond length is 2.09 Å. The Co(1)-O(8) bond length is 2.15 Å. There is one shorter (2.07 Å) and one longer (2.12 Å) Co(1)-O(11) bond length. In the second Co site, Co(2) is bonded to one O(10), one O(3), one O(4), one O(5), and one O(6) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles are 67°. The Co(2)-O(10) bond length is 2.08 Å. The Co(2)-O(3) bond length is 2.08 Å. The Co(2)-O(4) bond length is 2.21 Å. The Co(2)-O(5) bond length is 2.03 Å. The Co(2)-O(6) bond length is 2.08 Å. In the third Co site, Co(3) is bonded to one O(10), one O(2), one O(5), one O(9), and two equivalent O(7) atoms to form CoO6 octahedra that share  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Co(3)O6 octahedra, and  an edgeedge with one Co(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 62°. The Co(3)-O(10) bond length is 2.20 Å. The Co(3)-O(2) bond length is 2.13 Å. The Co(3)-O(5) bond length is 2.12 Å. The Co(3)-O(9) bond length is 2.10 Å. There is one shorter (2.07 Å) and one longer (2.10 Å) Co(3)-O(7) bond length. In the fourth Co site, Co(4) is bonded to two equivalent O(12), two equivalent O(2), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Co(3)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent Co(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. Both Co(4)-O(12) bond lengths are 2.10 Å. Both Co(4)-O(2) bond lengths are 2.15 Å. Both Co(4)-O(6) bond lengths are 2.27 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(2), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, and corners with two equivalent Co(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 43-62°. The P(1)-O(1) bond length is 1.60 Å. The P(1)-O(10) bond length is 1.54 Å. The P(1)-O(2) bond length is 1.56 Å. The P(1)-O(4) bond length is 1.54 Å. In the second P site, P(2) is bonded to one O(3), one O(6), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent Co(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 33-58°. The P(2)-O(3) bond length is 1.55 Å. The P(2)-O(6) bond length is 1.54 Å. The P(2)-O(8) bond length is 1.61 Å. The P(2)-O(9) bond length is 1.53 Å. In the third P site, P(3) is bonded to one O(11), one O(12), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with three equivalent Co(3)O6 octahedra, and  a cornercorner with one Co(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 26-55°. The P(3)-O(11) bond length is 1.55 Å. The P(3)-O(12) bond length is 1.56 Å. The P(3)-O(5) bond length is 1.56 Å. The P(3)-O(7) bond length is 1.55 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(12) atom. The H(1)-O(1) bond length is 1.07 Å. The H(1)-O(12) bond length is 1.38 Å. In the second H site, H(2) is bonded in a linear geometry to one O(8) and one O(9) atom. The H(2)-O(8) bond length is 1.03 Å. The H(2)-O(9) bond length is 1.56 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Co(1), one P(1), and one H(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(3), one Co(4), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Co(3) and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Co(1), one P(2), and one H(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Co(3), one P(2), and one H(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Co(2), one Co(3), and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to two equivalent Co(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Co(4), one P(3), and one H(1) atom.