The crystal structure described by 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. is represented by the CIF card [CIF]
data_CaCoBP2H5O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.613
_cell_length_b   7.960
_cell_length_c   8.923
_cell_angle_alpha   69.413
_cell_angle_beta   84.107
_cell_angle_gamma   74.409
_symmetry_Int_Tables_number   1
_cell_volume   423.534
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.913  0.451  0.841  1.0
  Ca  Ca1  1  0.087  0.549  0.159  1.0
  Co  Co2  1  0.673  0.325  0.597  1.0
  Co  Co3  1  0.327  0.675  0.403  1.0
  B  B4  1  0.539  0.981  0.209  1.0
  B  B5  1  0.461  0.019  0.791  1.0
  P  P6  1  0.438  0.286  0.936  1.0
  P  P7  1  0.562  0.714  0.064  1.0
  P  P8  1  0.797  0.737  0.451  1.0
  P  P9  1  0.203  0.263  0.549  1.0
  H  H10  1  0.734  0.949  0.678  1.0
  H  H11  1  0.266  0.051  0.322  1.0
  H  H12  1  0.710  0.149  0.380  1.0
  H  H13  1  0.290  0.851  0.620  1.0
  H  H14  1  0.912  0.227  0.378  1.0
  H  H15  1  0.088  0.773  0.622  1.0
  H  H16  1  0.840  0.131  0.108  1.0
  H  H17  1  0.160  0.869  0.892  1.0
  H  H18  1  0.091  0.076  0.112  1.0
  H  H19  1  0.909  0.924  0.888  1.0
  O  O20  1  0.239  0.428  0.955  1.0
  O  O21  1  0.761  0.572  0.045  1.0
  O  O22  1  0.605  0.366  0.821  1.0
  O  O23  1  0.395  0.634  0.179  1.0
  O  O24  1  0.636  0.851  0.123  1.0
  O  O25  1  0.364  0.149  0.877  1.0
  O  O26  1  0.543  0.172  0.105  1.0
  O  O27  1  0.457  0.828  0.895  1.0
  O  O28  1  0.840  0.743  0.616  1.0
  O  O29  1  0.160  0.257  0.384  1.0
  O  O30  1  0.004  0.686  0.361  1.0
  O  O31  1  0.996  0.314  0.639  1.0
  O  O32  1  0.650  0.610  0.464  1.0
  O  O33  1  0.350  0.390  0.536  1.0
  O  O34  1  0.673  0.943  0.348  1.0
  O  O35  1  0.327  0.057  0.652  1.0
  O  O36  1  0.674  0.038  0.736  1.0
  O  O37  1  0.326  0.962  0.264  1.0
  O  O38  1  0.759  0.244  0.402  1.0
  O  O39  1  0.241  0.756  0.598  1.0
  O  O40  1  0.966  0.175  0.065  1.0
  O  O41  1  0.034  0.825  0.935  1.0
[/CIF]
.
The crystal structure described by 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. is represented by the CIF card [CIF]
data_CaCoBP2H5O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.613
_cell_length_b   7.960
_cell_length_c   8.923
_cell_angle_alpha   69.413
_cell_angle_beta   84.107
_cell_angle_gamma   74.409
_symmetry_Int_Tables_number   1
_cell_volume   423.534
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.913  0.451  0.841  1.0
  Ca  Ca1  1  0.087  0.549  0.159  1.0
  Co  Co2  1  0.673  0.325  0.597  1.0
  Co  Co3  1  0.327  0.675  0.403  1.0
  B  B4  1  0.539  0.981  0.209  1.0
  B  B5  1  0.461  0.019  0.791  1.0
  P  P6  1  0.438  0.286  0.936  1.0
  P  P7  1  0.562  0.714  0.064  1.0
  P  P8  1  0.797  0.737  0.451  1.0
  P  P9  1  0.203  0.263  0.549  1.0
  H  H10  1  0.734  0.949  0.678  1.0
  H  H11  1  0.266  0.051  0.322  1.0
  H  H12  1  0.710  0.149  0.380  1.0
  H  H13  1  0.290  0.851  0.620  1.0
  H  H14  1  0.912  0.227  0.378  1.0
  H  H15  1  0.088  0.773  0.622  1.0
  H  H16  1  0.840  0.131  0.108  1.0
  H  H17  1  0.160  0.869  0.892  1.0
  H  H18  1  0.091  0.076  0.112  1.0
  H  H19  1  0.909  0.924  0.888  1.0
  O  O20  1  0.239  0.428  0.955  1.0
  O  O21  1  0.761  0.572  0.045  1.0
  O  O22  1  0.605  0.366  0.821  1.0
  O  O23  1  0.395  0.634  0.179  1.0
  O  O24  1  0.636  0.851  0.123  1.0
  O  O25  1  0.364  0.149  0.877  1.0
  O  O26  1  0.543  0.172  0.105  1.0
  O  O27  1  0.457  0.828  0.895  1.0
  O  O28  1  0.840  0.743  0.616  1.0
  O  O29  1  0.160  0.257  0.384  1.0
  O  O30  1  0.004  0.686  0.361  1.0
  O  O31  1  0.996  0.314  0.639  1.0
  O  O32  1  0.650  0.610  0.464  1.0
  O  O33  1  0.350  0.390  0.536  1.0
  O  O34  1  0.673  0.943  0.348  1.0
  O  O35  1  0.327  0.057  0.652  1.0
  O  O36  1  0.674  0.038  0.736  1.0
  O  O37  1  0.326  0.962  0.264  1.0
  O  O38  1  0.759  0.244  0.402  1.0
  O  O39  1  0.241  0.756  0.598  1.0
  O  O40  1  0.966  0.175  0.065  1.0
  O  O41  1  0.034  0.825  0.935  1.0
[/CIF]
.