The material described by Zn3(BO3)2 crystallizes in the monoclinic C2/c space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form corner-sharing ZnO4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form a mixture of corner and edge-sharing ZnO4 tetrahedra. In the third Zn site, Zn(3) is bonded to one O(4), one O(6), and two equivalent O(5) atoms to form corner-sharing ZnO4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Zn(2) and one B(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zn(1), one Zn(2), and one B(1) atom. In the third O site, O(6) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(3), and one B(2) atom. In the fourth 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 fifth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1), one Zn(3), and one B(2) atom. In the sixth O site, O(5) is bonded in a trigonal planar geometry to two equivalent Zn(3) and one B(2) atom. is represented by the CIF card [CIF]
data_Zn3(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.541
_cell_length_b   12.541
_cell_length_c   8.483
_cell_angle_alpha   76.828
_cell_angle_beta   76.828
_cell_angle_gamma   23.399
_symmetry_Int_Tables_number   1
_cell_volume   515.309
_cell_formula_units_Z   4
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  0.444  0.810  0.620  1.0
  Zn  Zn1  1  0.190  0.556  0.880  1.0
  Zn  Zn2  1  0.556  0.190  0.380  1.0
  Zn  Zn3  1  0.810  0.444  0.120  1.0
  Zn  Zn4  1  0.874  0.224  0.825  1.0
  Zn  Zn5  1  0.776  0.126  0.675  1.0
  Zn  Zn6  1  0.126  0.776  0.175  1.0
  Zn  Zn7  1  0.224  0.874  0.325  1.0
  Zn  Zn8  1  0.519  0.901  0.288  1.0
  Zn  Zn9  1  0.099  0.481  0.212  1.0
  Zn  Zn10  1  0.481  0.099  0.712  1.0
  Zn  Zn11  1  0.901  0.519  0.788  1.0
  B  B12  1  0.611  0.259  0.037  1.0
  B  B13  1  0.741  0.389  0.463  1.0
  B  B14  1  0.389  0.741  0.963  1.0
  B  B15  1  0.259  0.611  0.537  1.0
  B  B16  1  0.002  0.373  0.480  1.0
  B  B17  1  0.627  0.998  0.020  1.0
  B  B18  1  0.998  0.627  0.520  1.0
  B  B19  1  0.373  0.002  0.980  1.0
  O  O20  1  0.764  0.164  0.899  1.0
  O  O21  1  0.836  0.236  0.601  1.0
  O  O22  1  0.236  0.836  0.101  1.0
  O  O23  1  0.164  0.764  0.399  1.0
  O  O24  1  0.494  0.668  0.460  1.0
  O  O25  1  0.332  0.506  0.040  1.0
  O  O26  1  0.506  0.332  0.540  1.0
  O  O27  1  0.668  0.494  0.960  1.0
  O  O28  1  0.262  0.899  0.820  1.0
  O  O29  1  0.101  0.738  0.680  1.0
  O  O30  1  0.738  0.101  0.180  1.0
  O  O31  1  0.899  0.262  0.320  1.0
  O  O32  1  0.839  0.489  0.620  1.0
  O  O33  1  0.511  0.161  0.880  1.0
  O  O34  1  0.161  0.511  0.380  1.0
  O  O35  1  0.489  0.839  0.120  1.0
  O  O36  1  0.471  0.098  0.160  1.0
  O  O37  1  0.902  0.529  0.340  1.0
  O  O38  1  0.529  0.902  0.840  1.0
  O  O39  1  0.098  0.471  0.660  1.0
  O  O40  1  0.271  0.097  0.480  1.0
  O  O41  1  0.903  0.729  0.020  1.0
  O  O42  1  0.729  0.903  0.520  1.0
  O  O43  1  0.097  0.271  0.980  1.0
[/CIF]
.
The material described by Zn3(BO3)2 crystallizes in the monoclinic C2/c space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form corner-sharing ZnO4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form a mixture of corner and edge-sharing ZnO4 tetrahedra. In the third Zn site, Zn(3) is bonded to one O(4), one O(6), and two equivalent O(5) atoms to form corner-sharing ZnO4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Zn(2) and one B(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zn(1), one Zn(2), and one B(1) atom. In the third O site, O(6) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(3), and one B(2) atom. In the fourth 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 fifth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1), one Zn(3), and one B(2) atom. In the sixth O site, O(5) is bonded in a trigonal planar geometry to two equivalent Zn(3) and one B(2) atom. is represented by the CIF card [CIF]
data_Zn3(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.541
_cell_length_b   12.541
_cell_length_c   8.483
_cell_angle_alpha   76.828
_cell_angle_beta   76.828
_cell_angle_gamma   23.399
_symmetry_Int_Tables_number   1
_cell_volume   515.309
_cell_formula_units_Z   4
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  0.444  0.810  0.620  1.0
  Zn  Zn1  1  0.190  0.556  0.880  1.0
  Zn  Zn2  1  0.556  0.190  0.380  1.0
  Zn  Zn3  1  0.810  0.444  0.120  1.0
  Zn  Zn4  1  0.874  0.224  0.825  1.0
  Zn  Zn5  1  0.776  0.126  0.675  1.0
  Zn  Zn6  1  0.126  0.776  0.175  1.0
  Zn  Zn7  1  0.224  0.874  0.325  1.0
  Zn  Zn8  1  0.519  0.901  0.288  1.0
  Zn  Zn9  1  0.099  0.481  0.212  1.0
  Zn  Zn10  1  0.481  0.099  0.712  1.0
  Zn  Zn11  1  0.901  0.519  0.788  1.0
  B  B12  1  0.611  0.259  0.037  1.0
  B  B13  1  0.741  0.389  0.463  1.0
  B  B14  1  0.389  0.741  0.963  1.0
  B  B15  1  0.259  0.611  0.537  1.0
  B  B16  1  0.002  0.373  0.480  1.0
  B  B17  1  0.627  0.998  0.020  1.0
  B  B18  1  0.998  0.627  0.520  1.0
  B  B19  1  0.373  0.002  0.980  1.0
  O  O20  1  0.764  0.164  0.899  1.0
  O  O21  1  0.836  0.236  0.601  1.0
  O  O22  1  0.236  0.836  0.101  1.0
  O  O23  1  0.164  0.764  0.399  1.0
  O  O24  1  0.494  0.668  0.460  1.0
  O  O25  1  0.332  0.506  0.040  1.0
  O  O26  1  0.506  0.332  0.540  1.0
  O  O27  1  0.668  0.494  0.960  1.0
  O  O28  1  0.262  0.899  0.820  1.0
  O  O29  1  0.101  0.738  0.680  1.0
  O  O30  1  0.738  0.101  0.180  1.0
  O  O31  1  0.899  0.262  0.320  1.0
  O  O32  1  0.839  0.489  0.620  1.0
  O  O33  1  0.511  0.161  0.880  1.0
  O  O34  1  0.161  0.511  0.380  1.0
  O  O35  1  0.489  0.839  0.120  1.0
  O  O36  1  0.471  0.098  0.160  1.0
  O  O37  1  0.902  0.529  0.340  1.0
  O  O38  1  0.529  0.902  0.840  1.0
  O  O39  1  0.098  0.471  0.660  1.0
  O  O40  1  0.271  0.097  0.480  1.0
  O  O41  1  0.903  0.729  0.020  1.0
  O  O42  1  0.729  0.903  0.520  1.0
  O  O43  1  0.097  0.271  0.980  1.0
[/CIF]
.