The material structure described by Ca2B8H2O15 crystallizes in the triclinic P-1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 10-coordinate geometry to one O(1), one O(10), one O(13), one O(14), one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(11), one O(15), one O(2), one O(4), one O(5), one O(7), one O(8), and one O(9) atom. There are eight inequivalent B sites. In the first B site, B(1) is bonded to one O(14), one O(15), one O(2), and one O(8) atom to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(10), and one O(9) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(10), one O(4), and one O(7) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(14), one O(5), and one O(6) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(12), one O(13), and one O(15) atom. In the sixth B site, B(6) is bonded in a tetrahedral geometry to one O(1), one O(12), one O(6), and one O(7) atom. In the seventh B site, B(7) is bonded to one O(4), one O(5), one O(8), and one O(9) atom to form corner-sharing BO4 tetrahedra. In the eighth B site, B(8) is bonded to one O(11), one O(13), one O(2), and one O(3) atom to form corner-sharing BO4 tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(11) atom. There are fifteen 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(2), and one B(6) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one Ca(2), one B(1), and one B(8) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to two equivalent Ca(1), one B(8), and one H(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one Ca(2), one B(3), and one B(7) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one Ca(2), one B(4), and one B(7) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Ca(1), one B(4), and one B(6) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Ca(2), one B(3), and one B(6) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Ca(2), one B(1), and one B(7) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Ca(2), one B(2), and one B(7) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one B(2), and one B(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ca(2), one B(8), and one H(2) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one B(5) and one B(6) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one B(5), and one B(8) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one B(1), and one B(4) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one Ca(2), one B(1), and one B(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2B8H2O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.511
_cell_length_b   9.412
_cell_length_c   10.099
_cell_angle_alpha   116.834
_cell_angle_beta   90.426
_cell_angle_gamma   99.259
_symmetry_Int_Tables_number   1
_cell_volume   542.834
_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  0.012  0.176  0.721  1.0
  Ca  Ca1  1  0.988  0.824  0.279  1.0
  Ca  Ca2  1  0.327  0.184  0.169  1.0
  Ca  Ca3  1  0.673  0.816  0.831  1.0
  B  B4  1  0.247  0.940  0.780  1.0
  B  B5  1  0.753  0.060  0.220  1.0
  B  B6  1  0.265  0.532  0.844  1.0
  B  B7  1  0.735  0.468  0.156  1.0
  B  B8  1  0.081  0.404  0.125  1.0
  B  B9  1  0.919  0.596  0.875  1.0
  B  B10  1  0.442  0.843  0.190  1.0
  B  B11  1  0.558  0.157  0.810  1.0
  B  B12  1  0.290  0.738  0.521  1.0
  B  B13  1  0.710  0.262  0.479  1.0
  B  B14  1  0.421  0.609  0.260  1.0
  B  B15  1  0.579  0.391  0.740  1.0
  B  B16  1  0.228  0.827  0.974  1.0
  B  B17  1  0.772  0.173  0.026  1.0
  B  B18  1  0.062  0.192  0.420  1.0
  B  B19  1  0.938  0.808  0.580  1.0
  H  H20  1  0.318  0.142  0.503  1.0
  H  H21  1  0.682  0.858  0.497  1.0
  H  H22  1  0.321  0.375  0.492  1.0
  H  H23  1  0.679  0.625  0.508  1.0
  O  O24  1  0.363  0.404  0.782  1.0
  O  O25  1  0.637  0.596  0.218  1.0
  O  O26  1  0.029  0.918  0.731  1.0
  O  O27  1  0.971  0.082  0.269  1.0
  O  O28  1  0.169  0.096  0.478  1.0
  O  O29  1  0.831  0.904  0.522  1.0
  O  O30  1  0.999  0.759  0.952  1.0
  O  O31  1  0.001  0.241  0.048  1.0
  O  O32  1  0.301  0.909  0.137  1.0
  O  O33  1  0.699  0.091  0.863  1.0
  O  O34  1  0.342  0.724  0.222  1.0
  O  O35  1  0.658  0.276  0.778  1.0
  O  O36  1  0.286  0.447  0.175  1.0
  O  O37  1  0.714  0.553  0.825  1.0
  O  O38  1  0.278  0.952  0.928  1.0
  O  O39  1  0.722  0.048  0.072  1.0
  O  O40  1  0.349  0.693  0.896  1.0
  O  O41  1  0.651  0.307  0.104  1.0
  O  O42  1  0.050  0.484  0.849  1.0
  O  O43  1  0.950  0.516  0.151  1.0
  O  O44  1  0.213  0.320  0.410  1.0
  O  O45  1  0.787  0.680  0.590  1.0
  O  O46  1  0.431  0.665  0.422  1.0
  O  O47  1  0.569  0.335  0.578  1.0
  O  O48  1  0.096  0.745  0.473  1.0
  O  O49  1  0.904  0.255  0.527  1.0
  O  O50  1  0.348  0.100  0.786  1.0
  O  O51  1  0.652  0.900  0.214  1.0
  O  O52  1  0.354  0.810  0.672  1.0
  O  O53  1  0.646  0.190  0.328  1.0
[/CIF]
.
The material structure described by Ca2B8H2O15 crystallizes in the triclinic P-1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 10-coordinate geometry to one O(1), one O(10), one O(13), one O(14), one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(11), one O(15), one O(2), one O(4), one O(5), one O(7), one O(8), and one O(9) atom. There are eight inequivalent B sites. In the first B site, B(1) is bonded to one O(14), one O(15), one O(2), and one O(8) atom to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(10), and one O(9) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(10), one O(4), and one O(7) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(14), one O(5), and one O(6) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(12), one O(13), and one O(15) atom. In the sixth B site, B(6) is bonded in a tetrahedral geometry to one O(1), one O(12), one O(6), and one O(7) atom. In the seventh B site, B(7) is bonded to one O(4), one O(5), one O(8), and one O(9) atom to form corner-sharing BO4 tetrahedra. In the eighth B site, B(8) is bonded to one O(11), one O(13), one O(2), and one O(3) atom to form corner-sharing BO4 tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(11) atom. There are fifteen 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(2), and one B(6) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one Ca(2), one B(1), and one B(8) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to two equivalent Ca(1), one B(8), and one H(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one Ca(2), one B(3), and one B(7) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one Ca(2), one B(4), and one B(7) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Ca(1), one B(4), and one B(6) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Ca(2), one B(3), and one B(6) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Ca(2), one B(1), and one B(7) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Ca(2), one B(2), and one B(7) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one B(2), and one B(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ca(2), one B(8), and one H(2) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one B(5) and one B(6) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one B(5), and one B(8) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one B(1), and one B(4) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one Ca(2), one B(1), and one B(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2B8H2O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.511
_cell_length_b   9.412
_cell_length_c   10.099
_cell_angle_alpha   116.834
_cell_angle_beta   90.426
_cell_angle_gamma   99.259
_symmetry_Int_Tables_number   1
_cell_volume   542.834
_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  0.012  0.176  0.721  1.0
  Ca  Ca1  1  0.988  0.824  0.279  1.0
  Ca  Ca2  1  0.327  0.184  0.169  1.0
  Ca  Ca3  1  0.673  0.816  0.831  1.0
  B  B4  1  0.247  0.940  0.780  1.0
  B  B5  1  0.753  0.060  0.220  1.0
  B  B6  1  0.265  0.532  0.844  1.0
  B  B7  1  0.735  0.468  0.156  1.0
  B  B8  1  0.081  0.404  0.125  1.0
  B  B9  1  0.919  0.596  0.875  1.0
  B  B10  1  0.442  0.843  0.190  1.0
  B  B11  1  0.558  0.157  0.810  1.0
  B  B12  1  0.290  0.738  0.521  1.0
  B  B13  1  0.710  0.262  0.479  1.0
  B  B14  1  0.421  0.609  0.260  1.0
  B  B15  1  0.579  0.391  0.740  1.0
  B  B16  1  0.228  0.827  0.974  1.0
  B  B17  1  0.772  0.173  0.026  1.0
  B  B18  1  0.062  0.192  0.420  1.0
  B  B19  1  0.938  0.808  0.580  1.0
  H  H20  1  0.318  0.142  0.503  1.0
  H  H21  1  0.682  0.858  0.497  1.0
  H  H22  1  0.321  0.375  0.492  1.0
  H  H23  1  0.679  0.625  0.508  1.0
  O  O24  1  0.363  0.404  0.782  1.0
  O  O25  1  0.637  0.596  0.218  1.0
  O  O26  1  0.029  0.918  0.731  1.0
  O  O27  1  0.971  0.082  0.269  1.0
  O  O28  1  0.169  0.096  0.478  1.0
  O  O29  1  0.831  0.904  0.522  1.0
  O  O30  1  0.999  0.759  0.952  1.0
  O  O31  1  0.001  0.241  0.048  1.0
  O  O32  1  0.301  0.909  0.137  1.0
  O  O33  1  0.699  0.091  0.863  1.0
  O  O34  1  0.342  0.724  0.222  1.0
  O  O35  1  0.658  0.276  0.778  1.0
  O  O36  1  0.286  0.447  0.175  1.0
  O  O37  1  0.714  0.553  0.825  1.0
  O  O38  1  0.278  0.952  0.928  1.0
  O  O39  1  0.722  0.048  0.072  1.0
  O  O40  1  0.349  0.693  0.896  1.0
  O  O41  1  0.651  0.307  0.104  1.0
  O  O42  1  0.050  0.484  0.849  1.0
  O  O43  1  0.950  0.516  0.151  1.0
  O  O44  1  0.213  0.320  0.410  1.0
  O  O45  1  0.787  0.680  0.590  1.0
  O  O46  1  0.431  0.665  0.422  1.0
  O  O47  1  0.569  0.335  0.578  1.0
  O  O48  1  0.096  0.745  0.473  1.0
  O  O49  1  0.904  0.255  0.527  1.0
  O  O50  1  0.348  0.100  0.786  1.0
  O  O51  1  0.652  0.900  0.214  1.0
  O  O52  1  0.354  0.810  0.672  1.0
  O  O53  1  0.646  0.190  0.328  1.0
[/CIF]
.