The material described by Zn8B3H3O14 crystallizes in the trigonal R32 space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(2) and three equivalent O(3) atoms to form corner-sharing ZnO4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing ZnO4 tetrahedra. B(1) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(3) atoms. H(1) is bonded in a single-bond geometry to one O(1) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Zn(2) and one H(1) atom. In the second O site, O(2) is bonded in a tetrahedral geometry to one Zn(1) and three equivalent Zn(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Zn(1), one Zn(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Zn(2) and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn8B3H3O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.624
_cell_length_b   7.624
_cell_length_c   7.624
_cell_angle_alpha   65.408
_cell_angle_beta   65.408
_cell_angle_gamma   65.408
_symmetry_Int_Tables_number   1
_cell_volume   350.263
_cell_formula_units_Z   1
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
  Zn  Zn0  1  0.408  0.408  0.408  1.0
  Zn  Zn1  1  0.771  0.517  0.956  1.0
  Zn  Zn2  1  0.956  0.771  0.517  1.0
  Zn  Zn3  1  0.044  0.483  0.229  1.0
  Zn  Zn4  1  0.517  0.956  0.771  1.0
  Zn  Zn5  1  0.483  0.229  0.044  1.0
  Zn  Zn6  1  0.592  0.592  0.592  1.0
  Zn  Zn7  1  0.229  0.044  0.483  1.0
  B  B8  1  0.500  0.798  0.202  1.0
  B  B9  1  0.798  0.202  0.500  1.0
  B  B10  1  0.202  0.500  0.798  1.0
  H  H11  1  0.140  0.000  0.860  1.0
  H  H12  1  0.000  0.860  0.140  1.0
  H  H13  1  0.860  0.140  0.000  1.0
  O  O14  1  0.000  0.743  0.257  1.0
  O  O15  1  0.704  0.704  0.704  1.0
  O  O16  1  0.257  0.000  0.743  1.0
  O  O17  1  0.389  0.458  0.819  1.0
  O  O18  1  0.819  0.389  0.458  1.0
  O  O19  1  0.968  0.032  0.500  1.0
  O  O20  1  0.181  0.542  0.611  1.0
  O  O21  1  0.743  0.257  0.000  1.0
  O  O22  1  0.611  0.181  0.542  1.0
  O  O23  1  0.458  0.819  0.389  1.0
  O  O24  1  0.500  0.968  0.032  1.0
  O  O25  1  0.296  0.296  0.296  1.0
  O  O26  1  0.542  0.611  0.181  1.0
  O  O27  1  0.032  0.500  0.968  1.0
[/CIF]
.
The material described by Zn8B3H3O14 crystallizes in the trigonal R32 space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(2) and three equivalent O(3) atoms to form corner-sharing ZnO4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing ZnO4 tetrahedra. B(1) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(3) atoms. H(1) is bonded in a single-bond geometry to one O(1) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Zn(2) and one H(1) atom. In the second O site, O(2) is bonded in a tetrahedral geometry to one Zn(1) and three equivalent Zn(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Zn(1), one Zn(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Zn(2) and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn8B3H3O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.624
_cell_length_b   7.624
_cell_length_c   7.624
_cell_angle_alpha   65.408
_cell_angle_beta   65.408
_cell_angle_gamma   65.408
_symmetry_Int_Tables_number   1
_cell_volume   350.263
_cell_formula_units_Z   1
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
  Zn  Zn0  1  0.408  0.408  0.408  1.0
  Zn  Zn1  1  0.771  0.517  0.956  1.0
  Zn  Zn2  1  0.956  0.771  0.517  1.0
  Zn  Zn3  1  0.044  0.483  0.229  1.0
  Zn  Zn4  1  0.517  0.956  0.771  1.0
  Zn  Zn5  1  0.483  0.229  0.044  1.0
  Zn  Zn6  1  0.592  0.592  0.592  1.0
  Zn  Zn7  1  0.229  0.044  0.483  1.0
  B  B8  1  0.500  0.798  0.202  1.0
  B  B9  1  0.798  0.202  0.500  1.0
  B  B10  1  0.202  0.500  0.798  1.0
  H  H11  1  0.140  0.000  0.860  1.0
  H  H12  1  0.000  0.860  0.140  1.0
  H  H13  1  0.860  0.140  0.000  1.0
  O  O14  1  0.000  0.743  0.257  1.0
  O  O15  1  0.704  0.704  0.704  1.0
  O  O16  1  0.257  0.000  0.743  1.0
  O  O17  1  0.389  0.458  0.819  1.0
  O  O18  1  0.819  0.389  0.458  1.0
  O  O19  1  0.968  0.032  0.500  1.0
  O  O20  1  0.181  0.542  0.611  1.0
  O  O21  1  0.743  0.257  0.000  1.0
  O  O22  1  0.611  0.181  0.542  1.0
  O  O23  1  0.458  0.819  0.389  1.0
  O  O24  1  0.500  0.968  0.032  1.0
  O  O25  1  0.296  0.296  0.296  1.0
  O  O26  1  0.542  0.611  0.181  1.0
  O  O27  1  0.032  0.500  0.968  1.0
[/CIF]
.