The structure described by MgSnF5 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded to one F(1), two equivalent F(2), and two equivalent F(3) atoms to form MgF5 trigonal bipyramids that share corners with six equivalent Sn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 12-65°. Sn(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form SnF6 octahedra that share corners with two equivalent Sn(1)F6 octahedra and corners with six equivalent Mg(1)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 49°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Sn(1) atoms. In the second F site, F(2) is bonded in a linear geometry to one Mg(1) and one Sn(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one Sn(1) atom. is represented by the CIF card [CIF]
data_MgSnF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.609
_cell_length_b   5.609
_cell_length_c   8.148
_cell_angle_alpha   68.398
_cell_angle_beta   68.398
_cell_angle_gamma   71.755
_symmetry_Int_Tables_number   1
_cell_volume   216.883
_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  0.512  0.488  0.750  1.0
  Mg  Mg1  1  0.488  0.512  0.250  1.0
  Sn  Sn2  1  0.000  0.000  0.500  1.0
  Sn  Sn3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.142  0.858  0.250  1.0
  F  F5  1  0.858  0.142  0.750  1.0
  F  F6  1  0.703  0.776  0.140  1.0
  F  F7  1  0.224  0.297  0.360  1.0
  F  F8  1  0.674  0.293  0.440  1.0
  F  F9  1  0.707  0.326  0.060  1.0
  F  F10  1  0.326  0.707  0.560  1.0
  F  F11  1  0.293  0.674  0.940  1.0
  F  F12  1  0.776  0.703  0.640  1.0
  F  F13  1  0.297  0.224  0.860  1.0
[/CIF]
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The structure described by MgSnF5 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded to one F(1), two equivalent F(2), and two equivalent F(3) atoms to form MgF5 trigonal bipyramids that share corners with six equivalent Sn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 12-65°. Sn(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form SnF6 octahedra that share corners with two equivalent Sn(1)F6 octahedra and corners with six equivalent Mg(1)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 49°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Sn(1) atoms. In the second F site, F(2) is bonded in a linear geometry to one Mg(1) and one Sn(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one Sn(1) atom. is represented by the CIF card [CIF]
data_MgSnF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.609
_cell_length_b   5.609
_cell_length_c   8.148
_cell_angle_alpha   68.398
_cell_angle_beta   68.398
_cell_angle_gamma   71.755
_symmetry_Int_Tables_number   1
_cell_volume   216.883
_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  0.512  0.488  0.750  1.0
  Mg  Mg1  1  0.488  0.512  0.250  1.0
  Sn  Sn2  1  0.000  0.000  0.500  1.0
  Sn  Sn3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.142  0.858  0.250  1.0
  F  F5  1  0.858  0.142  0.750  1.0
  F  F6  1  0.703  0.776  0.140  1.0
  F  F7  1  0.224  0.297  0.360  1.0
  F  F8  1  0.674  0.293  0.440  1.0
  F  F9  1  0.707  0.326  0.060  1.0
  F  F10  1  0.326  0.707  0.560  1.0
  F  F11  1  0.293  0.674  0.940  1.0
  F  F12  1  0.776  0.703  0.640  1.0
  F  F13  1  0.297  0.224  0.860  1.0
[/CIF]
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