The material described by NaBrF4 crystallizes in the tetragonal I4/mcm space group. Na(1) is bonded in a 8-coordinate geometry to eight equivalent F(1) atoms. Br(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. F(1) is bonded in a trigonal planar geometry to two equivalent Na(1) and one Br(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaBrF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.686
_cell_length_b   5.686
_cell_length_c   6.542
_cell_angle_alpha   115.756
_cell_angle_beta   115.756
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   166.867
_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
  Na  Na0  1  0.250  0.250  0.500  1.0
  Na  Na1  1  0.750  0.750  0.500  1.0
  Br  Br2  1  0.000  0.500  0.000  1.0
  Br  Br3  1  0.500  0.000  0.000  1.0
  F  F4  1  0.300  0.800  0.266  1.0
  F  F5  1  0.700  0.200  0.734  1.0
  F  F6  1  0.966  0.466  0.266  1.0
  F  F7  1  0.466  0.300  0.266  1.0
  F  F8  1  0.200  0.034  0.734  1.0
  F  F9  1  0.034  0.534  0.734  1.0
  F  F10  1  0.534  0.700  0.734  1.0
  F  F11  1  0.800  0.966  0.266  1.0
[/CIF]
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The material described by NaBrF4 crystallizes in the tetragonal I4/mcm space group. Na(1) is bonded in a 8-coordinate geometry to eight equivalent F(1) atoms. Br(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. F(1) is bonded in a trigonal planar geometry to two equivalent Na(1) and one Br(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaBrF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.686
_cell_length_b   5.686
_cell_length_c   6.542
_cell_angle_alpha   115.756
_cell_angle_beta   115.756
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   166.867
_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
  Na  Na0  1  0.250  0.250  0.500  1.0
  Na  Na1  1  0.750  0.750  0.500  1.0
  Br  Br2  1  0.000  0.500  0.000  1.0
  Br  Br3  1  0.500  0.000  0.000  1.0
  F  F4  1  0.300  0.800  0.266  1.0
  F  F5  1  0.700  0.200  0.734  1.0
  F  F6  1  0.966  0.466  0.266  1.0
  F  F7  1  0.466  0.300  0.266  1.0
  F  F8  1  0.200  0.034  0.734  1.0
  F  F9  1  0.034  0.534  0.734  1.0
  F  F10  1  0.534  0.700  0.734  1.0
  F  F11  1  0.800  0.966  0.266  1.0
[/CIF]
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