CaNiBP2H3O10 crystallizes in the monoclinic C2/c space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. Ni(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent B(1)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. B(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form BO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra and  a cornercorner with one B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-55°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to two equivalent O(3) atoms. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one B(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ni(1), one B(1), and one H(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one P(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one Ni(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one Ni(1), and one P(1) atom.
CaNiBP2H3O10 crystallizes in the monoclinic C2/c space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. Both Ca(1)-O(1) bond lengths are 2.70 Å. Both Ca(1)-O(3) bond lengths are 2.44 Å. Both Ca(1)-O(4) bond lengths are 2.53 Å. Both Ca(1)-O(5) bond lengths are 2.47 Å. Ni(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent B(1)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. Both Ni(1)-O(2) bond lengths are 2.11 Å. Both Ni(1)-O(4) bond lengths are 2.05 Å. Both Ni(1)-O(5) bond lengths are 2.09 Å. B(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form BO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. Both B(1)-O(1) bond lengths are 1.51 Å. Both B(1)-O(2) bond lengths are 1.46 Å. P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra and  a cornercorner with one B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-55°. The P(1)-O(1) bond length is 1.58 Å. The P(1)-O(3) bond length is 1.58 Å. The P(1)-O(4) bond length is 1.53 Å. The P(1)-O(5) bond length is 1.53 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to two equivalent O(3) atoms. Both H(1)-O(3) bond lengths are 1.21 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. The H(2)-O(2) bond length is 0.98 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one B(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ni(1), one B(1), and one H(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one P(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one Ni(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one Ni(1), and one P(1) atom.