The compound described by BaFCl is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Ba(1) is bonded in a 9-coordinate geometry to five equivalent Cl(1) and four equivalent F(1) atoms. Cl(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 Crystallographic Information File (CIF) [CIF]
data_BaClF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.418
_cell_length_b   4.418
_cell_length_c   7.281
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   142.135
_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  0.795  1.0
  Ba  Ba1  1  0.250  0.250  0.205  1.0
  Cl  Cl2  1  0.250  0.250  0.649  1.0
  Cl  Cl3  1  0.750  0.750  0.351  1.0
  F  F4  1  0.750  0.250  0.000  1.0
  F  F5  1  0.250  0.750  0.000  1.0
[/CIF]
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The compound described by BaFCl is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Ba(1) is bonded in a 9-coordinate geometry to five equivalent Cl(1) and four equivalent F(1) atoms. Cl(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 Crystallographic Information File (CIF) [CIF]
data_BaClF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.418
_cell_length_b   4.418
_cell_length_c   7.281
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   142.135
_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  0.795  1.0
  Ba  Ba1  1  0.250  0.250  0.205  1.0
  Cl  Cl2  1  0.250  0.250  0.649  1.0
  Cl  Cl3  1  0.750  0.750  0.351  1.0
  F  F4  1  0.750  0.250  0.000  1.0
  F  F5  1  0.250  0.750  0.000  1.0
[/CIF]
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