The structure described by BaFBr is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Ba(1) is bonded in a 9-coordinate geometry to five equivalent Br(1) and four equivalent F(1) atoms. Br(1) is bonded in a 5-coordinate geometry to five equivalent Ba(1) atoms. F(1) is bonded to four equivalent Ba(1) atoms to form a mixture of edge and corner-sharing FBa4 tetrahedra. is represented by the CIF card [CIF]
data_BaBrF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.540
_cell_length_b   4.540
_cell_length_c   7.495
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   154.487
_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
  Ba  Ba0  1  0.750  0.750  0.808  1.0
  Ba  Ba1  1  0.250  0.250  0.192  1.0
  Br  Br2  1  0.250  0.250  0.650  1.0
  Br  Br3  1  0.750  0.750  0.350  1.0
  F  F4  1  0.250  0.750  0.000  1.0
  F  F5  1  0.750  0.250  0.000  1.0
[/CIF]
.
The structure described by BaFBr is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Ba(1) is bonded in a 9-coordinate geometry to five equivalent Br(1) and four equivalent F(1) atoms. Br(1) is bonded in a 5-coordinate geometry to five equivalent Ba(1) atoms. F(1) is bonded to four equivalent Ba(1) atoms to form a mixture of edge and corner-sharing FBa4 tetrahedra. is represented by the CIF card [CIF]
data_BaBrF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.540
_cell_length_b   4.540
_cell_length_c   7.495
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   154.487
_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
  Ba  Ba0  1  0.750  0.750  0.808  1.0
  Ba  Ba1  1  0.250  0.250  0.192  1.0
  Br  Br2  1  0.250  0.250  0.650  1.0
  Br  Br3  1  0.750  0.750  0.350  1.0
  F  F4  1  0.250  0.750  0.000  1.0
  F  F5  1  0.750  0.250  0.000  1.0
[/CIF]
.