The material described by Sr3B6H2O13 crystallizes in the triclinic P-1 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one H(2), one O(1), one O(11), one O(2), one O(3), one O(5), one O(6), one O(8), and one O(9) atom. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(3), one O(5), two equivalent O(1), and two equivalent O(4) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(2), one O(6), one O(7), one O(8), two equivalent O(10), and two equivalent O(13) atoms. There are six inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. In the second B site, B(2) is bonded to one O(12), one O(2), one O(3), and one O(9) atom to form corner-sharing BO4 tetrahedra. In the third B site, B(3) is bonded to one O(11), one O(13), one O(5), and one O(6) atom to form corner-sharing BO4 tetrahedra. In the fourth B site, B(4) is bonded to one O(10), one O(12), one O(6), and one O(7) atom to form corner-sharing BO4 tetrahedra. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(10), one O(2), and one O(8) atom. In the sixth B site, B(6) is bonded to one O(4), one O(5), one O(7), and one O(9) 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(11) atom. In the second H site, H(2) is bonded in a single-bond geometry to one Sr(1) and one O(13) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Sr(1), two equivalent Sr(2), and one B(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Sr(1), one Sr(3), one B(2), and one B(5) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Sr(1), one Sr(2), one B(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Sr(2), one B(1), and one B(6) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Sr(1), one Sr(2), one B(3), and one B(6) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Sr(1), one Sr(3), one B(3), and one B(4) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Sr(3), one B(4), and one B(6) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(3), and one B(5) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Sr(1), one B(2), and one B(6) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to two equivalent Sr(3), one B(4), and one B(5) atom. In the eleventh O site, O(11) is bonded in a distorted water-like geometry to one Sr(1), one Sr(2), one B(3), and one H(1) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Sr(2), one B(2), and one B(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to two equivalent Sr(3), one B(3), and one H(2) atom. is represented by the CIF file [CIF]
data_Sr3B6H2O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.687
_cell_length_b   6.763
_cell_length_c   11.504
_cell_angle_alpha   90.757
_cell_angle_beta   94.329
_cell_angle_gamma   93.013
_symmetry_Int_Tables_number   1
_cell_volume   517.940
_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
  Sr  Sr0  1  0.567  0.375  0.265  1.0
  Sr  Sr1  1  0.433  0.625  0.735  1.0
  Sr  Sr2  1  0.873  0.726  0.478  1.0
  Sr  Sr3  1  0.127  0.274  0.522  1.0
  Sr  Sr4  1  0.819  0.237  0.971  1.0
  Sr  Sr5  1  0.181  0.763  0.029  1.0
  B  B6  1  0.323  0.763  0.440  1.0
  B  B7  1  0.677  0.237  0.560  1.0
  B  B8  1  0.552  0.855  0.277  1.0
  B  B9  1  0.448  0.145  0.723  1.0
  B  B10  1  0.039  0.335  0.228  1.0
  B  B11  1  0.961  0.665  0.772  1.0
  B  B12  1  0.880  0.979  0.202  1.0
  B  B13  1  0.120  0.021  0.798  1.0
  B  B14  1  0.383  0.219  0.934  1.0
  B  B15  1  0.617  0.781  0.066  1.0
  B  B16  1  0.766  0.968  0.702  1.0
  B  B17  1  0.234  0.032  0.298  1.0
  H  H18  1  0.019  0.635  0.257  1.0
  H  H19  1  0.981  0.365  0.743  1.0
  H  H20  1  0.242  0.338  0.094  1.0
  H  H21  1  0.758  0.662  0.906  1.0
  O  O22  1  0.742  0.363  0.479  1.0
  O  O23  1  0.258  0.637  0.521  1.0
  O  O24  1  0.487  0.270  0.835  1.0
  O  O25  1  0.513  0.730  0.165  1.0
  O  O26  1  0.488  0.725  0.375  1.0
  O  O27  1  0.512  0.275  0.625  1.0
  O  O28  1  0.785  0.065  0.584  1.0
  O  O29  1  0.215  0.935  0.416  1.0
  O  O30  1  0.812  0.756  0.691  1.0
  O  O31  1  0.188  0.244  0.309  1.0
  O  O32  1  0.866  0.198  0.195  1.0
  O  O33  1  0.134  0.802  0.805  1.0
  O  O34  1  0.091  0.925  0.213  1.0
  O  O35  1  0.909  0.075  0.787  1.0
  O  O36  1  0.462  0.274  0.041  1.0
  O  O37  1  0.538  0.726  0.959  1.0
  O  O38  1  0.439  0.029  0.268  1.0
  O  O39  1  0.561  0.971  0.732  1.0
  O  O40  1  0.800  0.894  0.083  1.0
  O  O41  1  0.200  0.106  0.917  1.0
  O  O42  1  0.959  0.511  0.286  1.0
  O  O43  1  0.041  0.489  0.714  1.0
  O  O44  1  0.768  0.898  0.296  1.0
  O  O45  1  0.232  0.102  0.704  1.0
  O  O46  1  0.126  0.412  0.119  1.0
  O  O47  1  0.874  0.588  0.881  1.0
[/CIF]
.
The material described by Sr3B6H2O13 crystallizes in the triclinic P-1 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one H(2), one O(1), one O(11), one O(2), one O(3), one O(5), one O(6), one O(8), and one O(9) atom. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(3), one O(5), two equivalent O(1), and two equivalent O(4) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(2), one O(6), one O(7), one O(8), two equivalent O(10), and two equivalent O(13) atoms. There are six inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. In the second B site, B(2) is bonded to one O(12), one O(2), one O(3), and one O(9) atom to form corner-sharing BO4 tetrahedra. In the third B site, B(3) is bonded to one O(11), one O(13), one O(5), and one O(6) atom to form corner-sharing BO4 tetrahedra. In the fourth B site, B(4) is bonded to one O(10), one O(12), one O(6), and one O(7) atom to form corner-sharing BO4 tetrahedra. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(10), one O(2), and one O(8) atom. In the sixth B site, B(6) is bonded to one O(4), one O(5), one O(7), and one O(9) 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(11) atom. In the second H site, H(2) is bonded in a single-bond geometry to one Sr(1) and one O(13) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Sr(1), two equivalent Sr(2), and one B(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Sr(1), one Sr(3), one B(2), and one B(5) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Sr(1), one Sr(2), one B(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Sr(2), one B(1), and one B(6) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Sr(1), one Sr(2), one B(3), and one B(6) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Sr(1), one Sr(3), one B(3), and one B(4) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Sr(3), one B(4), and one B(6) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(3), and one B(5) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Sr(1), one B(2), and one B(6) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to two equivalent Sr(3), one B(4), and one B(5) atom. In the eleventh O site, O(11) is bonded in a distorted water-like geometry to one Sr(1), one Sr(2), one B(3), and one H(1) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Sr(2), one B(2), and one B(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to two equivalent Sr(3), one B(3), and one H(2) atom. is represented by the CIF file [CIF]
data_Sr3B6H2O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.687
_cell_length_b   6.763
_cell_length_c   11.504
_cell_angle_alpha   90.757
_cell_angle_beta   94.329
_cell_angle_gamma   93.013
_symmetry_Int_Tables_number   1
_cell_volume   517.940
_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
  Sr  Sr0  1  0.567  0.375  0.265  1.0
  Sr  Sr1  1  0.433  0.625  0.735  1.0
  Sr  Sr2  1  0.873  0.726  0.478  1.0
  Sr  Sr3  1  0.127  0.274  0.522  1.0
  Sr  Sr4  1  0.819  0.237  0.971  1.0
  Sr  Sr5  1  0.181  0.763  0.029  1.0
  B  B6  1  0.323  0.763  0.440  1.0
  B  B7  1  0.677  0.237  0.560  1.0
  B  B8  1  0.552  0.855  0.277  1.0
  B  B9  1  0.448  0.145  0.723  1.0
  B  B10  1  0.039  0.335  0.228  1.0
  B  B11  1  0.961  0.665  0.772  1.0
  B  B12  1  0.880  0.979  0.202  1.0
  B  B13  1  0.120  0.021  0.798  1.0
  B  B14  1  0.383  0.219  0.934  1.0
  B  B15  1  0.617  0.781  0.066  1.0
  B  B16  1  0.766  0.968  0.702  1.0
  B  B17  1  0.234  0.032  0.298  1.0
  H  H18  1  0.019  0.635  0.257  1.0
  H  H19  1  0.981  0.365  0.743  1.0
  H  H20  1  0.242  0.338  0.094  1.0
  H  H21  1  0.758  0.662  0.906  1.0
  O  O22  1  0.742  0.363  0.479  1.0
  O  O23  1  0.258  0.637  0.521  1.0
  O  O24  1  0.487  0.270  0.835  1.0
  O  O25  1  0.513  0.730  0.165  1.0
  O  O26  1  0.488  0.725  0.375  1.0
  O  O27  1  0.512  0.275  0.625  1.0
  O  O28  1  0.785  0.065  0.584  1.0
  O  O29  1  0.215  0.935  0.416  1.0
  O  O30  1  0.812  0.756  0.691  1.0
  O  O31  1  0.188  0.244  0.309  1.0
  O  O32  1  0.866  0.198  0.195  1.0
  O  O33  1  0.134  0.802  0.805  1.0
  O  O34  1  0.091  0.925  0.213  1.0
  O  O35  1  0.909  0.075  0.787  1.0
  O  O36  1  0.462  0.274  0.041  1.0
  O  O37  1  0.538  0.726  0.959  1.0
  O  O38  1  0.439  0.029  0.268  1.0
  O  O39  1  0.561  0.971  0.732  1.0
  O  O40  1  0.800  0.894  0.083  1.0
  O  O41  1  0.200  0.106  0.917  1.0
  O  O42  1  0.959  0.511  0.286  1.0
  O  O43  1  0.041  0.489  0.714  1.0
  O  O44  1  0.768  0.898  0.296  1.0
  O  O45  1  0.232  0.102  0.704  1.0
  O  O46  1  0.126  0.412  0.119  1.0
  O  O47  1  0.874  0.588  0.881  1.0
[/CIF]
.