CaCoBP2H5O11 crystallizes in the triclinic P-1 space group. Ca(1) is bonded to one O(11), one O(2), one O(5), one O(6), and two equivalent O(1) atoms to form CaO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Ca(1)O6 octahedra, and  an edgeedge with one Co(1)O6 octahedra. Co(1) is bonded to one O(10), one O(2), one O(6), one O(9), and two equivalent O(7) atoms to form CoO6 octahedra that share  a cornercorner with one B(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Ca(1)O6 octahedra, and  an edgeedge with one Co(1)O6 octahedra. B(1) is bonded to one O(3), one O(4), one O(8), and one O(9) atom to form BO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 69°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with three equivalent Ca(1)O6 octahedra, and corners with two equivalent B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-60°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ca(1)O6 octahedra, corners with three equivalent Co(1)O6 octahedra, and  a cornercorner with one B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-62°. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(9) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(10) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(10) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(11) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(11) atom. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ca(1), one Co(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one B(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one B(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Ca(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one Co(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Co(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one B(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Co(1), one B(1), and one H(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Co(1), one H(2), and one H(3) atom. In the eleventh O site, O(11) is bonded in a distorted water-like geometry to one Ca(1), one H(4), and one H(5) atom.
CaCoBP2H5O11 crystallizes in the triclinic P-1 space group. Ca(1) is bonded to one O(11), one O(2), one O(5), one O(6), and two equivalent O(1) atoms to form CaO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Ca(1)O6 octahedra, and  an edgeedge with one Co(1)O6 octahedra. The Ca(1)-O(11) bond length is 2.37 Å. The Ca(1)-O(2) bond length is 2.35 Å. The Ca(1)-O(5) bond length is 2.45 Å. The Ca(1)-O(6) bond length is 2.36 Å. There is one shorter (2.37 Å) and one longer (2.42 Å) Ca(1)-O(1) bond length. Co(1) is bonded to one O(10), one O(2), one O(6), one O(9), and two equivalent O(7) atoms to form CoO6 octahedra that share  a cornercorner with one B(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Ca(1)O6 octahedra, and  an edgeedge with one Co(1)O6 octahedra. The Co(1)-O(10) bond length is 2.04 Å. The Co(1)-O(2) bond length is 2.13 Å. The Co(1)-O(6) bond length is 2.18 Å. The Co(1)-O(9) bond length is 2.19 Å. There is one shorter (2.12 Å) and one longer (2.14 Å) Co(1)-O(7) bond length. B(1) is bonded to one O(3), one O(4), one O(8), and one O(9) atom to form BO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 69°. The B(1)-O(3) bond length is 1.47 Å. The B(1)-O(4) bond length is 1.49 Å. The B(1)-O(8) bond length is 1.50 Å. The B(1)-O(9) bond length is 1.47 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with three equivalent Ca(1)O6 octahedra, and corners with two equivalent B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-60°. The P(1)-O(1) bond length is 1.52 Å. The P(1)-O(2) bond length is 1.53 Å. The P(1)-O(3) bond length is 1.57 Å. The P(1)-O(4) bond length is 1.59 Å. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ca(1)O6 octahedra, corners with three equivalent Co(1)O6 octahedra, and  a cornercorner with one B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-62°. The P(2)-O(5) bond length is 1.54 Å. The P(2)-O(6) bond length is 1.55 Å. The P(2)-O(7) bond length is 1.55 Å. The P(2)-O(8) bond length is 1.61 Å. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(9) atom. The H(1)-O(9) bond length is 0.99 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(10) atom. The H(2)-O(10) bond length is 0.99 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(10) atom. The H(3)-O(10) bond length is 0.99 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(11) atom. The H(4)-O(11) bond length is 0.98 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(11) atom. The H(5)-O(11) bond length is 0.98 Å. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ca(1), one Co(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one B(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one B(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Ca(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one Co(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Co(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one B(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Co(1), one B(1), and one H(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Co(1), one H(2), and one H(3) atom. In the eleventh O site, O(11) is bonded in a distorted water-like geometry to one Ca(1), one H(4), and one H(5) atom.