The compound described by Zn3(BO3)2 crystallizes in the monoclinic Cc space group. There are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(10), one O(11), one O(4), and one O(8) atom 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(7) atom to form corner-sharing ZnO4 tetrahedra. In the third Zn site, Zn(3) is bonded to one O(10), one O(5), one O(8), and one O(9) atom to form corner-sharing ZnO4 tetrahedra. In the fourth Zn site, Zn(4) is bonded to one O(11), one O(12), one O(4), and one O(6) atom to form a mixture of edge and corner-sharing ZnO4 tetrahedra. In the fifth Zn site, Zn(5) is bonded to one O(3), one O(5), one O(7), and one O(9) atom to form corner-sharing ZnO4 tetrahedra. In the sixth Zn site, Zn(6) is bonded to one O(1), one O(12), one O(2), and one O(6) atom to form a mixture of edge and corner-sharing ZnO4 tetrahedra. There are four 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(6) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(10), one O(5), and one O(8) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(3), one O(7), and one O(9) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(4) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Zn(2), one Zn(6), and one B(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zn(2), one Zn(6), and one B(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Zn(2), one Zn(5), and one B(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Zn(1), one Zn(4), and one B(4) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Zn(3), one Zn(5), and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Zn(4), one Zn(6), and one B(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Zn(2), one Zn(5), and one B(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1), one Zn(3), and one B(2) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Zn(3), one Zn(5), and one B(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(3), and one B(2) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Zn(1), one Zn(4), and one B(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Zn(4), one Zn(6), and one B(4) atom. is represented by the CIF card [CIF]
data_Zn3(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.534
_cell_length_b   12.534
_cell_length_c   8.485
_cell_angle_alpha   76.812
_cell_angle_beta   76.812
_cell_angle_gamma   23.404
_symmetry_Int_Tables_number   1
_cell_volume   514.910
_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  0.555  0.189  0.629  1.0
  Zn  Zn1  1  0.443  0.809  0.870  1.0
  Zn  Zn2  1  0.099  0.481  0.462  1.0
  Zn  Zn3  1  0.128  0.772  0.424  1.0
  Zn  Zn4  1  0.481  0.099  0.962  1.0
  Zn  Zn5  1  0.900  0.517  0.038  1.0
  Zn  Zn6  1  0.809  0.443  0.370  1.0
  Zn  Zn7  1  0.772  0.128  0.924  1.0
  Zn  Zn8  1  0.517  0.900  0.538  1.0
  Zn  Zn9  1  0.189  0.555  0.129  1.0
  Zn  Zn10  1  0.220  0.875  0.575  1.0
  Zn  Zn11  1  0.875  0.220  0.075  1.0
  B  B12  1  0.392  0.736  0.212  1.0
  B  B13  1  0.627  0.997  0.270  1.0
  B  B14  1  0.000  0.373  0.730  1.0
  B  B15  1  0.613  0.254  0.287  1.0
  B  B16  1  0.254  0.613  0.787  1.0
  B  B17  1  0.997  0.627  0.770  1.0
  B  B18  1  0.373  0.000  0.230  1.0
  B  B19  1  0.736  0.392  0.712  1.0
  O  O20  1  0.491  0.670  0.708  1.0
  O  O21  1  0.894  0.263  0.569  1.0
  O  O22  1  0.836  0.489  0.870  1.0
  O  O23  1  0.334  0.502  0.289  1.0
  O  O24  1  0.097  0.470  0.909  1.0
  O  O25  1  0.829  0.241  0.851  1.0
  O  O26  1  0.241  0.829  0.351  1.0
  O  O27  1  0.097  0.268  0.229  1.0
  O  O28  1  0.161  0.510  0.629  1.0
  O  O29  1  0.529  0.901  0.090  1.0
  O  O30  1  0.510  0.161  0.129  1.0
  O  O31  1  0.670  0.491  0.208  1.0
  O  O32  1  0.263  0.894  0.069  1.0
  O  O33  1  0.502  0.334  0.789  1.0
  O  O34  1  0.903  0.729  0.270  1.0
  O  O35  1  0.489  0.836  0.370  1.0
  O  O36  1  0.097  0.740  0.930  1.0
  O  O37  1  0.767  0.158  0.149  1.0
  O  O38  1  0.729  0.903  0.770  1.0
  O  O39  1  0.268  0.097  0.729  1.0
  O  O40  1  0.158  0.767  0.649  1.0
  O  O41  1  0.470  0.097  0.409  1.0
  O  O42  1  0.901  0.529  0.590  1.0
  O  O43  1  0.740  0.097  0.430  1.0
[/CIF]
.
The compound described by Zn3(BO3)2 crystallizes in the monoclinic Cc space group. There are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(10), one O(11), one O(4), and one O(8) atom 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(7) atom to form corner-sharing ZnO4 tetrahedra. In the third Zn site, Zn(3) is bonded to one O(10), one O(5), one O(8), and one O(9) atom to form corner-sharing ZnO4 tetrahedra. In the fourth Zn site, Zn(4) is bonded to one O(11), one O(12), one O(4), and one O(6) atom to form a mixture of edge and corner-sharing ZnO4 tetrahedra. In the fifth Zn site, Zn(5) is bonded to one O(3), one O(5), one O(7), and one O(9) atom to form corner-sharing ZnO4 tetrahedra. In the sixth Zn site, Zn(6) is bonded to one O(1), one O(12), one O(2), and one O(6) atom to form a mixture of edge and corner-sharing ZnO4 tetrahedra. There are four 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(6) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(10), one O(5), and one O(8) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(3), one O(7), and one O(9) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(4) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Zn(2), one Zn(6), and one B(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zn(2), one Zn(6), and one B(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Zn(2), one Zn(5), and one B(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Zn(1), one Zn(4), and one B(4) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Zn(3), one Zn(5), and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Zn(4), one Zn(6), and one B(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Zn(2), one Zn(5), and one B(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1), one Zn(3), and one B(2) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Zn(3), one Zn(5), and one B(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(3), and one B(2) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Zn(1), one Zn(4), and one B(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Zn(4), one Zn(6), and one B(4) atom. is represented by the CIF card [CIF]
data_Zn3(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.534
_cell_length_b   12.534
_cell_length_c   8.485
_cell_angle_alpha   76.812
_cell_angle_beta   76.812
_cell_angle_gamma   23.404
_symmetry_Int_Tables_number   1
_cell_volume   514.910
_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  0.555  0.189  0.629  1.0
  Zn  Zn1  1  0.443  0.809  0.870  1.0
  Zn  Zn2  1  0.099  0.481  0.462  1.0
  Zn  Zn3  1  0.128  0.772  0.424  1.0
  Zn  Zn4  1  0.481  0.099  0.962  1.0
  Zn  Zn5  1  0.900  0.517  0.038  1.0
  Zn  Zn6  1  0.809  0.443  0.370  1.0
  Zn  Zn7  1  0.772  0.128  0.924  1.0
  Zn  Zn8  1  0.517  0.900  0.538  1.0
  Zn  Zn9  1  0.189  0.555  0.129  1.0
  Zn  Zn10  1  0.220  0.875  0.575  1.0
  Zn  Zn11  1  0.875  0.220  0.075  1.0
  B  B12  1  0.392  0.736  0.212  1.0
  B  B13  1  0.627  0.997  0.270  1.0
  B  B14  1  0.000  0.373  0.730  1.0
  B  B15  1  0.613  0.254  0.287  1.0
  B  B16  1  0.254  0.613  0.787  1.0
  B  B17  1  0.997  0.627  0.770  1.0
  B  B18  1  0.373  0.000  0.230  1.0
  B  B19  1  0.736  0.392  0.712  1.0
  O  O20  1  0.491  0.670  0.708  1.0
  O  O21  1  0.894  0.263  0.569  1.0
  O  O22  1  0.836  0.489  0.870  1.0
  O  O23  1  0.334  0.502  0.289  1.0
  O  O24  1  0.097  0.470  0.909  1.0
  O  O25  1  0.829  0.241  0.851  1.0
  O  O26  1  0.241  0.829  0.351  1.0
  O  O27  1  0.097  0.268  0.229  1.0
  O  O28  1  0.161  0.510  0.629  1.0
  O  O29  1  0.529  0.901  0.090  1.0
  O  O30  1  0.510  0.161  0.129  1.0
  O  O31  1  0.670  0.491  0.208  1.0
  O  O32  1  0.263  0.894  0.069  1.0
  O  O33  1  0.502  0.334  0.789  1.0
  O  O34  1  0.903  0.729  0.270  1.0
  O  O35  1  0.489  0.836  0.370  1.0
  O  O36  1  0.097  0.740  0.930  1.0
  O  O37  1  0.767  0.158  0.149  1.0
  O  O38  1  0.729  0.903  0.770  1.0
  O  O39  1  0.268  0.097  0.729  1.0
  O  O40  1  0.158  0.767  0.649  1.0
  O  O41  1  0.470  0.097  0.409  1.0
  O  O42  1  0.901  0.529  0.590  1.0
  O  O43  1  0.740  0.097  0.430  1.0
[/CIF]
.