The compound described by MgF2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a 7-coordinate geometry to three equivalent F(2) and four equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(2) is bonded in a trigonal non-coplanar geometry to three equivalent Mg(1) atoms. In the second F site, F(1) is bonded to four equivalent Mg(1) atoms to form a mixture of corner and edge-sharing FMg4 tetrahedra. is represented by the CIF card [CIF]
data_MgF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.398
_cell_length_b   5.272
_cell_length_c   6.744
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   120.797
_cell_formula_units_Z   4
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  0.250  0.263  0.085  1.0
  Mg  Mg1  1  0.250  0.763  0.415  1.0
  Mg  Mg2  1  0.750  0.737  0.915  1.0
  Mg  Mg3  1  0.750  0.237  0.585  1.0
  F  F4  1  0.250  0.876  0.100  1.0
  F  F5  1  0.250  0.376  0.400  1.0
  F  F6  1  0.750  0.124  0.900  1.0
  F  F7  1  0.750  0.624  0.600  1.0
  F  F8  1  0.250  0.514  0.859  1.0
  F  F9  1  0.250  0.014  0.641  1.0
  F  F10  1  0.750  0.486  0.141  1.0
  F  F11  1  0.750  0.986  0.359  1.0
[/CIF]
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The compound described by MgF2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a 7-coordinate geometry to three equivalent F(2) and four equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(2) is bonded in a trigonal non-coplanar geometry to three equivalent Mg(1) atoms. In the second F site, F(1) is bonded to four equivalent Mg(1) atoms to form a mixture of corner and edge-sharing FMg4 tetrahedra. is represented by the CIF card [CIF]
data_MgF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.398
_cell_length_b   5.272
_cell_length_c   6.744
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   120.797
_cell_formula_units_Z   4
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  0.250  0.263  0.085  1.0
  Mg  Mg1  1  0.250  0.763  0.415  1.0
  Mg  Mg2  1  0.750  0.737  0.915  1.0
  Mg  Mg3  1  0.750  0.237  0.585  1.0
  F  F4  1  0.250  0.876  0.100  1.0
  F  F5  1  0.250  0.376  0.400  1.0
  F  F6  1  0.750  0.124  0.900  1.0
  F  F7  1  0.750  0.624  0.600  1.0
  F  F8  1  0.250  0.514  0.859  1.0
  F  F9  1  0.250  0.014  0.641  1.0
  F  F10  1  0.750  0.486  0.141  1.0
  F  F11  1  0.750  0.986  0.359  1.0
[/CIF]
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