The material structure described by CaMnF4 crystallizes in the tetragonal I4/mcm space group. Ca(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. Mn(1) is bonded in a distorted body-centered cubic geometry to eight equivalent F(1) atoms. F(1) is bonded to two equivalent Ca(1) and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing FCa2Mn2 tetrahedra. is represented by the CIF file [CIF]
data_CaMnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.654
_cell_length_b   6.654
_cell_length_c   6.654
_cell_angle_alpha   131.663
_cell_angle_beta   131.663
_cell_angle_gamma   70.761
_symmetry_Int_Tables_number   1
_cell_volume   161.053
_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  0.750  0.750  0.000  1.0
  Ca  Ca1  1  0.250  0.250  0.000  1.0
  Mn  Mn2  1  0.000  0.500  0.500  1.0
  Mn  Mn3  1  0.500  0.000  0.500  1.0
  F  F4  1  0.911  0.411  0.074  1.0
  F  F5  1  0.663  0.163  0.074  1.0
  F  F6  1  0.089  0.589  0.926  1.0
  F  F7  1  0.589  0.663  0.500  1.0
  F  F8  1  0.337  0.837  0.926  1.0
  F  F9  1  0.837  0.911  0.500  1.0
  F  F10  1  0.411  0.337  0.500  1.0
  F  F11  1  0.163  0.089  0.500  1.0
[/CIF]
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The material structure described by CaMnF4 crystallizes in the tetragonal I4/mcm space group. Ca(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. Mn(1) is bonded in a distorted body-centered cubic geometry to eight equivalent F(1) atoms. F(1) is bonded to two equivalent Ca(1) and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing FCa2Mn2 tetrahedra. is represented by the CIF file [CIF]
data_CaMnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.654
_cell_length_b   6.654
_cell_length_c   6.654
_cell_angle_alpha   131.663
_cell_angle_beta   131.663
_cell_angle_gamma   70.761
_symmetry_Int_Tables_number   1
_cell_volume   161.053
_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  0.750  0.750  0.000  1.0
  Ca  Ca1  1  0.250  0.250  0.000  1.0
  Mn  Mn2  1  0.000  0.500  0.500  1.0
  Mn  Mn3  1  0.500  0.000  0.500  1.0
  F  F4  1  0.911  0.411  0.074  1.0
  F  F5  1  0.663  0.163  0.074  1.0
  F  F6  1  0.089  0.589  0.926  1.0
  F  F7  1  0.589  0.663  0.500  1.0
  F  F8  1  0.337  0.837  0.926  1.0
  F  F9  1  0.837  0.911  0.500  1.0
  F  F10  1  0.411  0.337  0.500  1.0
  F  F11  1  0.163  0.089  0.500  1.0
[/CIF]
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