The structure described by CaB2H10O9 crystallizes in the triclinic P-1 space group. Ca(1) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and two equivalent O(5) atoms to form distorted CaO7 pentagonal bipyramids that share corners with two equivalent B(1)O4 tetrahedra, corners with two equivalent B(2)O4 tetrahedra,  an edgeedge with one Ca(1)O7 pentagonal bipyramid, and  an edgeedge with one B(1)O4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form BO4 tetrahedra that share corners with two equivalent Ca(1)O7 pentagonal bipyramids,  a cornercorner with one B(2)O4 tetrahedra, and  an edgeedge with one Ca(1)O7 pentagonal bipyramid. In the second B site, B(2) is bonded to one O(6), one O(7), one O(8), and one O(9) atom to form BO4 tetrahedra that share corners with two equivalent Ca(1)O7 pentagonal bipyramids and  a cornercorner with one B(1)O4 tetrahedra. There are ten inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(2) and one O(8) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(8) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(9) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(3) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(4) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(1) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(7) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(5) atom. In the tenth H site, H(10) is bonded in a distorted single-bond geometry to one O(5) and one O(8) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ca(1), one B(1), and one H(7) atom. In the second O site, O(2) is bonded in a water-like geometry to one H(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 B(1), and one H(5) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Ca(1), one B(1), and one H(6) atom. In the fifth O site, O(5) is bonded in a water-like geometry to two equivalent Ca(1), one H(10), and one H(9) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one B(1), and one B(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Ca(1), one B(2), and one H(8) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one B(2), one H(1), one H(10), and one H(3) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one B(2) and one H(4) atom. is represented by the CIF card [CIF]
data_CaB2H10O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.529
_cell_length_b   7.826
_cell_length_c   8.133
_cell_angle_alpha   69.072
_cell_angle_beta   68.435
_cell_angle_gamma   73.788
_symmetry_Int_Tables_number   1
_cell_volume   355.703
_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  0.595  0.003  0.236  1.0
  Ca  Ca1  1  0.405  0.997  0.764  1.0
  B  B2  1  0.850  0.997  0.793  1.0
  B  B3  1  0.150  0.003  0.207  1.0
  B  B4  1  0.624  0.321  0.842  1.0
  B  B5  1  0.376  0.679  0.158  1.0
  H  H6  1  0.195  0.569  0.523  1.0
  H  H7  1  0.762  0.491  0.274  1.0
  H  H8  1  0.238  0.509  0.726  1.0
  H  H9  1  0.805  0.431  0.477  1.0
  H  H10  1  0.122  0.520  0.307  1.0
  H  H11  1  0.710  0.695  0.049  1.0
  H  H12  1  0.102  0.075  0.557  1.0
  H  H13  1  0.898  0.925  0.443  1.0
  H  H14  1  0.993  0.178  0.007  1.0
  H  H15  1  0.007  0.822  0.993  1.0
  H  H16  1  0.911  0.769  0.700  1.0
  H  H17  1  0.878  0.480  0.693  1.0
  H  H18  1  0.324  0.599  0.960  1.0
  H  H19  1  0.676  0.401  0.040  1.0
  H  H20  1  0.351  0.747  0.578  1.0
  H  H21  1  0.649  0.253  0.422  1.0
  H  H22  1  0.591  0.674  0.604  1.0
  H  H23  1  0.409  0.326  0.396  1.0
  H  H24  1  0.290  0.305  0.951  1.0
  H  H25  1  0.089  0.231  0.300  1.0
  O  O26  1  0.198  0.114  0.302  1.0
  O  O27  1  0.140  0.592  0.648  1.0
  O  O28  1  0.068  0.058  0.690  1.0
  O  O29  1  0.932  0.942  0.310  1.0
  O  O30  1  0.146  0.119  0.016  1.0
  O  O31  1  0.854  0.881  0.984  1.0
  O  O32  1  0.510  0.209  0.444  1.0
  O  O33  1  0.802  0.886  0.698  1.0
  O  O34  1  0.347  0.855  0.194  1.0
  O  O35  1  0.653  0.145  0.806  1.0
  O  O36  1  0.860  0.408  0.352  1.0
  O  O37  1  0.705  0.285  0.003  1.0
  O  O38  1  0.260  0.534  0.320  1.0
  O  O39  1  0.740  0.466  0.680  1.0
  O  O40  1  0.382  0.405  0.879  1.0
  O  O41  1  0.618  0.595  0.121  1.0
  O  O42  1  0.490  0.791  0.556  1.0
  O  O43  1  0.295  0.715  0.997  1.0
[/CIF]
.
The structure described by CaB2H10O9 crystallizes in the triclinic P-1 space group. Ca(1) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and two equivalent O(5) atoms to form distorted CaO7 pentagonal bipyramids that share corners with two equivalent B(1)O4 tetrahedra, corners with two equivalent B(2)O4 tetrahedra,  an edgeedge with one Ca(1)O7 pentagonal bipyramid, and  an edgeedge with one B(1)O4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form BO4 tetrahedra that share corners with two equivalent Ca(1)O7 pentagonal bipyramids,  a cornercorner with one B(2)O4 tetrahedra, and  an edgeedge with one Ca(1)O7 pentagonal bipyramid. In the second B site, B(2) is bonded to one O(6), one O(7), one O(8), and one O(9) atom to form BO4 tetrahedra that share corners with two equivalent Ca(1)O7 pentagonal bipyramids and  a cornercorner with one B(1)O4 tetrahedra. There are ten inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(2) and one O(8) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(8) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(9) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(3) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(4) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(1) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(7) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(5) atom. In the tenth H site, H(10) is bonded in a distorted single-bond geometry to one O(5) and one O(8) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ca(1), one B(1), and one H(7) atom. In the second O site, O(2) is bonded in a water-like geometry to one H(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 B(1), and one H(5) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Ca(1), one B(1), and one H(6) atom. In the fifth O site, O(5) is bonded in a water-like geometry to two equivalent Ca(1), one H(10), and one H(9) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one B(1), and one B(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Ca(1), one B(2), and one H(8) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one B(2), one H(1), one H(10), and one H(3) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one B(2) and one H(4) atom. is represented by the CIF card [CIF]
data_CaB2H10O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.529
_cell_length_b   7.826
_cell_length_c   8.133
_cell_angle_alpha   69.072
_cell_angle_beta   68.435
_cell_angle_gamma   73.788
_symmetry_Int_Tables_number   1
_cell_volume   355.703
_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  0.595  0.003  0.236  1.0
  Ca  Ca1  1  0.405  0.997  0.764  1.0
  B  B2  1  0.850  0.997  0.793  1.0
  B  B3  1  0.150  0.003  0.207  1.0
  B  B4  1  0.624  0.321  0.842  1.0
  B  B5  1  0.376  0.679  0.158  1.0
  H  H6  1  0.195  0.569  0.523  1.0
  H  H7  1  0.762  0.491  0.274  1.0
  H  H8  1  0.238  0.509  0.726  1.0
  H  H9  1  0.805  0.431  0.477  1.0
  H  H10  1  0.122  0.520  0.307  1.0
  H  H11  1  0.710  0.695  0.049  1.0
  H  H12  1  0.102  0.075  0.557  1.0
  H  H13  1  0.898  0.925  0.443  1.0
  H  H14  1  0.993  0.178  0.007  1.0
  H  H15  1  0.007  0.822  0.993  1.0
  H  H16  1  0.911  0.769  0.700  1.0
  H  H17  1  0.878  0.480  0.693  1.0
  H  H18  1  0.324  0.599  0.960  1.0
  H  H19  1  0.676  0.401  0.040  1.0
  H  H20  1  0.351  0.747  0.578  1.0
  H  H21  1  0.649  0.253  0.422  1.0
  H  H22  1  0.591  0.674  0.604  1.0
  H  H23  1  0.409  0.326  0.396  1.0
  H  H24  1  0.290  0.305  0.951  1.0
  H  H25  1  0.089  0.231  0.300  1.0
  O  O26  1  0.198  0.114  0.302  1.0
  O  O27  1  0.140  0.592  0.648  1.0
  O  O28  1  0.068  0.058  0.690  1.0
  O  O29  1  0.932  0.942  0.310  1.0
  O  O30  1  0.146  0.119  0.016  1.0
  O  O31  1  0.854  0.881  0.984  1.0
  O  O32  1  0.510  0.209  0.444  1.0
  O  O33  1  0.802  0.886  0.698  1.0
  O  O34  1  0.347  0.855  0.194  1.0
  O  O35  1  0.653  0.145  0.806  1.0
  O  O36  1  0.860  0.408  0.352  1.0
  O  O37  1  0.705  0.285  0.003  1.0
  O  O38  1  0.260  0.534  0.320  1.0
  O  O39  1  0.740  0.466  0.680  1.0
  O  O40  1  0.382  0.405  0.879  1.0
  O  O41  1  0.618  0.595  0.121  1.0
  O  O42  1  0.490  0.791  0.556  1.0
  O  O43  1  0.295  0.715  0.997  1.0
[/CIF]
.