The material structure described by BaZnBO3F crystallizes in the hexagonal P-6 space group. Ba(1) is bonded in a 9-coordinate geometry to six equivalent O(1) and three equivalent F(1) atoms. Zn(1) is bonded to three equivalent O(1) and two equivalent F(1) atoms to form corner-sharing ZnO3F2 trigonal bipyramids. B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Zn(1), and one B(1) atom. F(1) is bonded to three equivalent Ba(1) and two equivalent Zn(1) atoms to form distorted corner-sharing FBa3Zn2 trigonal bipyramids. is represented by the CIF file [CIF]
data_BaZnBO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.127
_cell_length_b   5.127
_cell_length_c   4.364
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   99.349
_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
  Ba  Ba0  1  0.000  0.000  0.500  1.0
  Zn  Zn1  1  0.333  0.667  0.000  1.0
  B  B2  1  0.667  0.333  0.000  1.0
  O  O3  1  0.384  0.309  0.000  1.0
  O  O4  1  0.691  0.075  0.000  1.0
  O  O5  1  0.925  0.616  0.000  1.0
  F  F6  1  0.333  0.667  0.500  1.0
[/CIF]
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The material structure described by BaZnBO3F crystallizes in the hexagonal P-6 space group. Ba(1) is bonded in a 9-coordinate geometry to six equivalent O(1) and three equivalent F(1) atoms. Zn(1) is bonded to three equivalent O(1) and two equivalent F(1) atoms to form corner-sharing ZnO3F2 trigonal bipyramids. B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Zn(1), and one B(1) atom. F(1) is bonded to three equivalent Ba(1) and two equivalent Zn(1) atoms to form distorted corner-sharing FBa3Zn2 trigonal bipyramids. is represented by the CIF file [CIF]
data_BaZnBO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.127
_cell_length_b   5.127
_cell_length_c   4.364
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   99.349
_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
  Ba  Ba0  1  0.000  0.000  0.500  1.0
  Zn  Zn1  1  0.333  0.667  0.000  1.0
  B  B2  1  0.667  0.333  0.000  1.0
  O  O3  1  0.384  0.309  0.000  1.0
  O  O4  1  0.691  0.075  0.000  1.0
  O  O5  1  0.925  0.616  0.000  1.0
  F  F6  1  0.333  0.667  0.500  1.0
[/CIF]
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