The structure described by ZnB4O7 crystallizes in the orthorhombic Cmcm space group. Zn(1) is bonded to one O(1) and four equivalent O(2) atoms to form distorted ZnO5 trigonal bipyramids that share corners with four equivalent B(1)O4 tetrahedra and corners with six equivalent B(2)O4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form BO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra, corners with four equivalent B(2)O4 tetrahedra, and corners with two equivalent Zn(1)O5 trigonal bipyramids. In the second B site, B(2) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form BO4 tetrahedra that share  a cornercorner with one B(2)O4 tetrahedra, corners with four equivalent B(1)O4 tetrahedra, and corners with three equivalent Zn(1)O5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Zn(1) and two equivalent B(2) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zn(1), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one B(2) and two equivalent B(1) atoms. is represented by the CIF file [CIF]
data_ZnB4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.364
_cell_length_b   6.364
_cell_length_c   5.221
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.069
_symmetry_Int_Tables_number   1
_cell_volume   186.578
_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
  Zn  Zn0  1  0.766  0.766  0.750  1.0
  Zn  Zn1  1  0.234  0.234  0.250  1.0
  B  B2  1  0.702  0.298  0.500  1.0
  B  B3  1  0.298  0.702  0.000  1.0
  B  B4  1  0.702  0.298  0.000  1.0
  B  B5  1  0.690  0.925  0.250  1.0
  B  B6  1  0.925  0.690  0.250  1.0
  B  B7  1  0.298  0.702  0.500  1.0
  B  B8  1  0.075  0.310  0.750  1.0
  B  B9  1  0.310  0.075  0.750  1.0
  O  O10  1  0.920  0.920  0.250  1.0
  O  O11  1  0.446  0.189  0.977  1.0
  O  O12  1  0.080  0.080  0.750  1.0
  O  O13  1  0.554  0.811  0.023  1.0
  O  O14  1  0.811  0.554  0.477  1.0
  O  O15  1  0.196  0.755  0.250  1.0
  O  O16  1  0.446  0.189  0.523  1.0
  O  O17  1  0.189  0.446  0.977  1.0
  O  O18  1  0.245  0.804  0.750  1.0
  O  O19  1  0.811  0.554  0.023  1.0
  O  O20  1  0.755  0.196  0.250  1.0
  O  O21  1  0.189  0.446  0.523  1.0
  O  O22  1  0.804  0.245  0.750  1.0
  O  O23  1  0.554  0.811  0.477  1.0
[/CIF]
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The structure described by ZnB4O7 crystallizes in the orthorhombic Cmcm space group. Zn(1) is bonded to one O(1) and four equivalent O(2) atoms to form distorted ZnO5 trigonal bipyramids that share corners with four equivalent B(1)O4 tetrahedra and corners with six equivalent B(2)O4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form BO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra, corners with four equivalent B(2)O4 tetrahedra, and corners with two equivalent Zn(1)O5 trigonal bipyramids. In the second B site, B(2) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form BO4 tetrahedra that share  a cornercorner with one B(2)O4 tetrahedra, corners with four equivalent B(1)O4 tetrahedra, and corners with three equivalent Zn(1)O5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Zn(1) and two equivalent B(2) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zn(1), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one B(2) and two equivalent B(1) atoms. is represented by the CIF file [CIF]
data_ZnB4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.364
_cell_length_b   6.364
_cell_length_c   5.221
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.069
_symmetry_Int_Tables_number   1
_cell_volume   186.578
_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
  Zn  Zn0  1  0.766  0.766  0.750  1.0
  Zn  Zn1  1  0.234  0.234  0.250  1.0
  B  B2  1  0.702  0.298  0.500  1.0
  B  B3  1  0.298  0.702  0.000  1.0
  B  B4  1  0.702  0.298  0.000  1.0
  B  B5  1  0.690  0.925  0.250  1.0
  B  B6  1  0.925  0.690  0.250  1.0
  B  B7  1  0.298  0.702  0.500  1.0
  B  B8  1  0.075  0.310  0.750  1.0
  B  B9  1  0.310  0.075  0.750  1.0
  O  O10  1  0.920  0.920  0.250  1.0
  O  O11  1  0.446  0.189  0.977  1.0
  O  O12  1  0.080  0.080  0.750  1.0
  O  O13  1  0.554  0.811  0.023  1.0
  O  O14  1  0.811  0.554  0.477  1.0
  O  O15  1  0.196  0.755  0.250  1.0
  O  O16  1  0.446  0.189  0.523  1.0
  O  O17  1  0.189  0.446  0.977  1.0
  O  O18  1  0.245  0.804  0.750  1.0
  O  O19  1  0.811  0.554  0.023  1.0
  O  O20  1  0.755  0.196  0.250  1.0
  O  O21  1  0.189  0.446  0.523  1.0
  O  O22  1  0.804  0.245  0.750  1.0
  O  O23  1  0.554  0.811  0.477  1.0
[/CIF]
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