The crystal structure described by MgSnF4 crystallizes in the monoclinic C2 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedral tilt angles range from 37-49°. In the second Mg site, Mg(2) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedral tilt angles range from 37-49°. Sn(1) is bonded in a 3-coordinate geometry to one F(1), one F(4), and two equivalent F(2) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Mg(2) and one Sn(1) atom. In the second F site, F(2) is bonded in a distorted water-like geometry to one Mg(1) and two equivalent Sn(1) atoms. In the third F site, F(3) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Mg(2) atom. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Mg(2), and one Sn(1) atom. is represented by the CIF card [CIF]
data_MgSnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.139
_cell_length_b   7.139
_cell_length_c   5.085
_cell_angle_alpha   72.692
_cell_angle_beta   72.692
_cell_angle_gamma   45.589
_symmetry_Int_Tables_number   1
_cell_volume   175.196
_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  0.313  0.687  0.500  1.0
  Mg  Mg1  1  0.847  0.153  0.000  1.0
  Sn  Sn2  1  0.928  0.480  0.279  1.0
  Sn  Sn3  1  0.520  0.072  0.721  1.0
  F  F4  1  0.010  0.265  0.687  1.0
  F  F5  1  0.253  0.450  0.470  1.0
  F  F6  1  0.003  0.864  0.789  1.0
  F  F7  1  0.534  0.361  0.792  1.0
  F  F8  1  0.639  0.466  0.208  1.0
  F  F9  1  0.136  0.997  0.211  1.0
  F  F10  1  0.550  0.747  0.530  1.0
  F  F11  1  0.735  0.990  0.313  1.0
[/CIF]
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The crystal structure described by MgSnF4 crystallizes in the monoclinic C2 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedral tilt angles range from 37-49°. In the second Mg site, Mg(2) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedral tilt angles range from 37-49°. Sn(1) is bonded in a 3-coordinate geometry to one F(1), one F(4), and two equivalent F(2) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Mg(2) and one Sn(1) atom. In the second F site, F(2) is bonded in a distorted water-like geometry to one Mg(1) and two equivalent Sn(1) atoms. In the third F site, F(3) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Mg(2) atom. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Mg(2), and one Sn(1) atom. is represented by the CIF card [CIF]
data_MgSnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.139
_cell_length_b   7.139
_cell_length_c   5.085
_cell_angle_alpha   72.692
_cell_angle_beta   72.692
_cell_angle_gamma   45.589
_symmetry_Int_Tables_number   1
_cell_volume   175.196
_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  0.313  0.687  0.500  1.0
  Mg  Mg1  1  0.847  0.153  0.000  1.0
  Sn  Sn2  1  0.928  0.480  0.279  1.0
  Sn  Sn3  1  0.520  0.072  0.721  1.0
  F  F4  1  0.010  0.265  0.687  1.0
  F  F5  1  0.253  0.450  0.470  1.0
  F  F6  1  0.003  0.864  0.789  1.0
  F  F7  1  0.534  0.361  0.792  1.0
  F  F8  1  0.639  0.466  0.208  1.0
  F  F9  1  0.136  0.997  0.211  1.0
  F  F10  1  0.550  0.747  0.530  1.0
  F  F11  1  0.735  0.990  0.313  1.0
[/CIF]
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