The material described by K2MgF4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. K(1) is bonded in a 9-coordinate geometry to four equivalent F(1) and five equivalent F(2) atoms. Mg(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent F sites. In the first F site, F(2) is bonded to five equivalent K(1) and one Mg(1) atom to form a mixture of distorted corner and edge-sharing FK5Mg octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second F site, F(1) is bonded in a distorted linear geometry to four equivalent K(1) and two equivalent Mg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2MgF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.954
_cell_length_b   3.954
_cell_length_c   7.131
_cell_angle_alpha   106.094
_cell_angle_beta   106.094
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   102.539
_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
  K  K0  1  0.648  0.648  0.295  1.0
  K  K1  1  0.352  0.352  0.705  1.0
  Mg  Mg2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.000  0.500  0.000  1.0
  F  F4  1  0.500  0.000  0.000  1.0
  F  F5  1  0.848  0.848  0.695  1.0
  F  F6  1  0.152  0.152  0.305  1.0
[/CIF]
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The material described by K2MgF4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. K(1) is bonded in a 9-coordinate geometry to four equivalent F(1) and five equivalent F(2) atoms. Mg(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent F sites. In the first F site, F(2) is bonded to five equivalent K(1) and one Mg(1) atom to form a mixture of distorted corner and edge-sharing FK5Mg octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second F site, F(1) is bonded in a distorted linear geometry to four equivalent K(1) and two equivalent Mg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2MgF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.954
_cell_length_b   3.954
_cell_length_c   7.131
_cell_angle_alpha   106.094
_cell_angle_beta   106.094
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   102.539
_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
  K  K0  1  0.648  0.648  0.295  1.0
  K  K1  1  0.352  0.352  0.705  1.0
  Mg  Mg2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.000  0.500  0.000  1.0
  F  F4  1  0.500  0.000  0.000  1.0
  F  F5  1  0.848  0.848  0.695  1.0
  F  F6  1  0.152  0.152  0.305  1.0
[/CIF]
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