The material described by MgCoF4 is Fluorite-derived structured and crystallizes in the orthorhombic I222 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. In the second Mg site, Mg(2) is bonded in a body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. Co(1) is bonded in a body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Mg(1), one Mg(2), and two equivalent Co(1) atoms to form a mixture of corner and edge-sharing FMg2Co2 tetrahedra. In the second F site, F(2) is bonded to one Mg(1), one Mg(2), and two equivalent Co(1) atoms to form a mixture of corner and edge-sharing FMg2Co2 tetrahedra. is represented by the CIF card [CIF]
data_MgCoF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.155
_cell_length_b   6.155
_cell_length_c   6.155
_cell_angle_alpha   131.880
_cell_angle_beta   131.776
_cell_angle_gamma   70.501
_symmetry_Int_Tables_number   1
_cell_volume   126.887
_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
  Mg  Mg0  1  0.000  0.500  0.500  1.0
  Mg  Mg1  1  0.500  0.000  0.500  1.0
  Co  Co2  1  0.251  0.251  0.000  1.0
  Co  Co3  1  0.749  0.749  0.000  1.0
  F  F4  1  0.146  0.137  0.517  1.0
  F  F5  1  0.897  0.876  0.515  1.0
  F  F6  1  0.361  0.382  0.485  1.0
  F  F7  1  0.854  0.372  0.991  1.0
  F  F8  1  0.619  0.628  0.483  1.0
  F  F9  1  0.103  0.618  0.979  1.0
  F  F10  1  0.639  0.124  0.021  1.0
  F  F11  1  0.381  0.863  0.009  1.0
[/CIF]
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The material described by MgCoF4 is Fluorite-derived structured and crystallizes in the orthorhombic I222 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. In the second Mg site, Mg(2) is bonded in a body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. Co(1) is bonded in a body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Mg(1), one Mg(2), and two equivalent Co(1) atoms to form a mixture of corner and edge-sharing FMg2Co2 tetrahedra. In the second F site, F(2) is bonded to one Mg(1), one Mg(2), and two equivalent Co(1) atoms to form a mixture of corner and edge-sharing FMg2Co2 tetrahedra. is represented by the CIF card [CIF]
data_MgCoF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.155
_cell_length_b   6.155
_cell_length_c   6.155
_cell_angle_alpha   131.880
_cell_angle_beta   131.776
_cell_angle_gamma   70.501
_symmetry_Int_Tables_number   1
_cell_volume   126.887
_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
  Mg  Mg0  1  0.000  0.500  0.500  1.0
  Mg  Mg1  1  0.500  0.000  0.500  1.0
  Co  Co2  1  0.251  0.251  0.000  1.0
  Co  Co3  1  0.749  0.749  0.000  1.0
  F  F4  1  0.146  0.137  0.517  1.0
  F  F5  1  0.897  0.876  0.515  1.0
  F  F6  1  0.361  0.382  0.485  1.0
  F  F7  1  0.854  0.372  0.991  1.0
  F  F8  1  0.619  0.628  0.483  1.0
  F  F9  1  0.103  0.618  0.979  1.0
  F  F10  1  0.639  0.124  0.021  1.0
  F  F11  1  0.381  0.863  0.009  1.0
[/CIF]
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