The material described by BaZn2(BO3)2 crystallizes in the orthorhombic P2_12_12_1 space group. Ba(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(3), one O(4), one O(5), 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(6), and two equivalent O(1) 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(4), one O(5), and one O(6) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are six inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to one Ba(1), one Zn(1), one Zn(2), and one B(1) atom. In the second O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), two equivalent Zn(2), and one B(2) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Zn(2), and one B(2) atom. In the fourth O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one Zn(1), and one B(2) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to one Ba(1), one Zn(1), and one B(1) atom. In the sixth O site, O(5) is bonded in a 2-coordinate geometry to one Ba(1), one Zn(1), and one B(1) atom. is represented by the CIF file [CIF]
data_BaZn2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.986
_cell_length_b   9.483
_cell_length_c   12.283
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   580.791
_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
  Ba  Ba0  1  0.970  0.899  0.271  1.0
  Ba  Ba1  1  0.470  0.601  0.729  1.0
  Ba  Ba2  1  0.530  0.101  0.771  1.0
  Ba  Ba3  1  0.030  0.399  0.229  1.0
  Zn  Zn4  1  0.547  0.132  0.105  1.0
  Zn  Zn5  1  0.953  0.868  0.605  1.0
  Zn  Zn6  1  0.054  0.158  0.469  1.0
  Zn  Zn7  1  0.446  0.842  0.969  1.0
  Zn  Zn8  1  0.453  0.632  0.395  1.0
  Zn  Zn9  1  0.946  0.658  0.031  1.0
  Zn  Zn10  1  0.047  0.368  0.895  1.0
  Zn  Zn11  1  0.554  0.342  0.531  1.0
  B  B12  1  0.558  0.410  0.006  1.0
  B  B13  1  0.535  0.167  0.334  1.0
  B  B14  1  0.965  0.833  0.834  1.0
  B  B15  1  0.058  0.090  0.994  1.0
  B  B16  1  0.465  0.667  0.166  1.0
  B  B17  1  0.942  0.590  0.506  1.0
  B  B18  1  0.442  0.910  0.494  1.0
  B  B19  1  0.035  0.333  0.666  1.0
  O  O20  1  0.382  0.249  0.407  1.0
  O  O21  1  0.189  0.668  0.158  1.0
  O  O22  1  0.094  0.906  0.753  1.0
  O  O23  1  0.914  0.063  0.087  1.0
  O  O24  1  0.039  0.665  0.594  1.0
  O  O25  1  0.118  0.751  0.907  1.0
  O  O26  1  0.406  0.094  0.253  1.0
  O  O27  1  0.811  0.168  0.342  1.0
  O  O28  1  0.311  0.332  0.658  1.0
  O  O29  1  0.882  0.251  0.593  1.0
  O  O30  1  0.414  0.437  0.913  1.0
  O  O31  1  0.689  0.832  0.842  1.0
  O  O32  1  0.539  0.835  0.406  1.0
  O  O33  1  0.086  0.563  0.413  1.0
  O  O34  1  0.672  0.540  0.513  1.0
  O  O35  1  0.594  0.594  0.247  1.0
  O  O36  1  0.172  0.960  0.487  1.0
  O  O37  1  0.961  0.165  0.906  1.0
  O  O38  1  0.586  0.937  0.587  1.0
  O  O39  1  0.618  0.749  0.093  1.0
  O  O40  1  0.828  0.460  0.013  1.0
  O  O41  1  0.461  0.335  0.094  1.0
  O  O42  1  0.328  0.040  0.987  1.0
  O  O43  1  0.906  0.406  0.747  1.0
[/CIF]
.
The material described by BaZn2(BO3)2 crystallizes in the orthorhombic P2_12_12_1 space group. Ba(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(3), one O(4), one O(5), 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(6), and two equivalent O(1) 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(4), one O(5), and one O(6) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are six inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to one Ba(1), one Zn(1), one Zn(2), and one B(1) atom. In the second O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), two equivalent Zn(2), and one B(2) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Zn(2), and one B(2) atom. In the fourth O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one Zn(1), and one B(2) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to one Ba(1), one Zn(1), and one B(1) atom. In the sixth O site, O(5) is bonded in a 2-coordinate geometry to one Ba(1), one Zn(1), and one B(1) atom. is represented by the CIF file [CIF]
data_BaZn2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.986
_cell_length_b   9.483
_cell_length_c   12.283
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   580.791
_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
  Ba  Ba0  1  0.970  0.899  0.271  1.0
  Ba  Ba1  1  0.470  0.601  0.729  1.0
  Ba  Ba2  1  0.530  0.101  0.771  1.0
  Ba  Ba3  1  0.030  0.399  0.229  1.0
  Zn  Zn4  1  0.547  0.132  0.105  1.0
  Zn  Zn5  1  0.953  0.868  0.605  1.0
  Zn  Zn6  1  0.054  0.158  0.469  1.0
  Zn  Zn7  1  0.446  0.842  0.969  1.0
  Zn  Zn8  1  0.453  0.632  0.395  1.0
  Zn  Zn9  1  0.946  0.658  0.031  1.0
  Zn  Zn10  1  0.047  0.368  0.895  1.0
  Zn  Zn11  1  0.554  0.342  0.531  1.0
  B  B12  1  0.558  0.410  0.006  1.0
  B  B13  1  0.535  0.167  0.334  1.0
  B  B14  1  0.965  0.833  0.834  1.0
  B  B15  1  0.058  0.090  0.994  1.0
  B  B16  1  0.465  0.667  0.166  1.0
  B  B17  1  0.942  0.590  0.506  1.0
  B  B18  1  0.442  0.910  0.494  1.0
  B  B19  1  0.035  0.333  0.666  1.0
  O  O20  1  0.382  0.249  0.407  1.0
  O  O21  1  0.189  0.668  0.158  1.0
  O  O22  1  0.094  0.906  0.753  1.0
  O  O23  1  0.914  0.063  0.087  1.0
  O  O24  1  0.039  0.665  0.594  1.0
  O  O25  1  0.118  0.751  0.907  1.0
  O  O26  1  0.406  0.094  0.253  1.0
  O  O27  1  0.811  0.168  0.342  1.0
  O  O28  1  0.311  0.332  0.658  1.0
  O  O29  1  0.882  0.251  0.593  1.0
  O  O30  1  0.414  0.437  0.913  1.0
  O  O31  1  0.689  0.832  0.842  1.0
  O  O32  1  0.539  0.835  0.406  1.0
  O  O33  1  0.086  0.563  0.413  1.0
  O  O34  1  0.672  0.540  0.513  1.0
  O  O35  1  0.594  0.594  0.247  1.0
  O  O36  1  0.172  0.960  0.487  1.0
  O  O37  1  0.961  0.165  0.906  1.0
  O  O38  1  0.586  0.937  0.587  1.0
  O  O39  1  0.618  0.749  0.093  1.0
  O  O40  1  0.828  0.460  0.013  1.0
  O  O41  1  0.461  0.335  0.094  1.0
  O  O42  1  0.328  0.040  0.987  1.0
  O  O43  1  0.906  0.406  0.747  1.0
[/CIF]
.