The crystal structure described by CaZnF4 crystallizes in the tetragonal I4_1/a space group. Ca(1) is bonded in a 8-coordinate geometry to eight equivalent F(1) atoms. Zn(1) is bonded in a tetrahedral geometry to four equivalent F(1) atoms. F(1) is bonded in a trigonal planar geometry to two equivalent Ca(1) and one Zn(1) atom. is represented by the CIF card [CIF]
data_CaZnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.258
_cell_length_b   5.263
_cell_length_c   6.638
_cell_angle_alpha   113.335
_cell_angle_beta   113.320
_cell_angle_gamma   90.015
_symmetry_Int_Tables_number   1
_cell_volume   152.171
_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
  Ca  Ca0  1  0.625  0.875  0.250  1.0
  Ca  Ca1  1  0.375  0.125  0.750  1.0
  Zn  Zn2  1  0.125  0.375  0.250  1.0
  Zn  Zn3  1  0.875  0.625  0.750  1.0
  F  F4  1  0.295  0.465  0.071  1.0
  F  F5  1  0.606  0.795  0.571  1.0
  F  F6  1  0.965  0.276  0.570  1.0
  F  F7  1  0.776  0.106  0.071  1.0
  F  F8  1  0.224  0.894  0.929  1.0
  F  F9  1  0.035  0.724  0.430  1.0
  F  F10  1  0.394  0.205  0.429  1.0
  F  F11  1  0.705  0.535  0.929  1.0
[/CIF]
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The crystal structure described by CaZnF4 crystallizes in the tetragonal I4_1/a space group. Ca(1) is bonded in a 8-coordinate geometry to eight equivalent F(1) atoms. Zn(1) is bonded in a tetrahedral geometry to four equivalent F(1) atoms. F(1) is bonded in a trigonal planar geometry to two equivalent Ca(1) and one Zn(1) atom. is represented by the CIF card [CIF]
data_CaZnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.258
_cell_length_b   5.263
_cell_length_c   6.638
_cell_angle_alpha   113.335
_cell_angle_beta   113.320
_cell_angle_gamma   90.015
_symmetry_Int_Tables_number   1
_cell_volume   152.171
_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
  Ca  Ca0  1  0.625  0.875  0.250  1.0
  Ca  Ca1  1  0.375  0.125  0.750  1.0
  Zn  Zn2  1  0.125  0.375  0.250  1.0
  Zn  Zn3  1  0.875  0.625  0.750  1.0
  F  F4  1  0.295  0.465  0.071  1.0
  F  F5  1  0.606  0.795  0.571  1.0
  F  F6  1  0.965  0.276  0.570  1.0
  F  F7  1  0.776  0.106  0.071  1.0
  F  F8  1  0.224  0.894  0.929  1.0
  F  F9  1  0.035  0.724  0.430  1.0
  F  F10  1  0.394  0.205  0.429  1.0
  F  F11  1  0.705  0.535  0.929  1.0
[/CIF]
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