The compound described by Ca2Br2F is Indium-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Ca2Br2F cluster. Ca(1) is bonded in a linear geometry to one Br(1) and one F(1) atom. Br(1) is bonded in a single-bond geometry to one Ca(1) atom. F(1) is bonded in a linear geometry to two equivalent Ca(1) atoms. is represented by the CIF file [CIF]
data_Ca2Br2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.008
_cell_length_b   5.008
_cell_length_c   13.321
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   334.046
_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
  Ca  Ca0  1  0.500  0.500  0.162  1.0
  Ca  Ca1  1  0.500  0.500  0.838  1.0
  Br  Br2  1  0.500  0.500  0.647  1.0
  Br  Br3  1  0.500  0.500  0.353  1.0
  F  F4  1  0.500  0.500  0.000  1.0
[/CIF]
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The compound described by Ca2Br2F is Indium-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Ca2Br2F cluster. Ca(1) is bonded in a linear geometry to one Br(1) and one F(1) atom. Br(1) is bonded in a single-bond geometry to one Ca(1) atom. F(1) is bonded in a linear geometry to two equivalent Ca(1) atoms. is represented by the CIF file [CIF]
data_Ca2Br2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.008
_cell_length_b   5.008
_cell_length_c   13.321
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   334.046
_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
  Ca  Ca0  1  0.500  0.500  0.162  1.0
  Ca  Ca1  1  0.500  0.500  0.838  1.0
  Br  Br2  1  0.500  0.500  0.647  1.0
  Br  Br3  1  0.500  0.500  0.353  1.0
  F  F4  1  0.500  0.500  0.000  1.0
[/CIF]
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