The material described by MnTlF4 crystallizes in the monoclinic C2/c space group. Mn(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 37°. Tl(1) is bonded in a 2-coordinate geometry to two equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Mn(1) and one Tl(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_MnTlF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.294
_cell_length_b   7.294
_cell_length_c   5.346
_cell_angle_alpha   68.046
_cell_angle_beta   68.046
_cell_angle_gamma   43.486
_symmetry_Int_Tables_number   1
_cell_volume   179.178
_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
  Mn  Mn0  1  0.000  0.500  0.500  1.0
  Mn  Mn1  1  0.500  0.000  0.000  1.0
  Tl  Tl2  1  0.232  0.768  0.750  1.0
  Tl  Tl3  1  0.768  0.232  0.250  1.0
  F  F4  1  0.761  0.456  0.679  1.0
  F  F5  1  0.544  0.239  0.821  1.0
  F  F6  1  0.239  0.544  0.321  1.0
  F  F7  1  0.456  0.761  0.179  1.0
  F  F8  1  0.282  0.141  0.753  1.0
  F  F9  1  0.859  0.718  0.747  1.0
  F  F10  1  0.718  0.859  0.247  1.0
  F  F11  1  0.141  0.282  0.253  1.0
[/CIF]
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The material described by MnTlF4 crystallizes in the monoclinic C2/c space group. Mn(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 37°. Tl(1) is bonded in a 2-coordinate geometry to two equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Mn(1) and one Tl(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_MnTlF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.294
_cell_length_b   7.294
_cell_length_c   5.346
_cell_angle_alpha   68.046
_cell_angle_beta   68.046
_cell_angle_gamma   43.486
_symmetry_Int_Tables_number   1
_cell_volume   179.178
_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
  Mn  Mn0  1  0.000  0.500  0.500  1.0
  Mn  Mn1  1  0.500  0.000  0.000  1.0
  Tl  Tl2  1  0.232  0.768  0.750  1.0
  Tl  Tl3  1  0.768  0.232  0.250  1.0
  F  F4  1  0.761  0.456  0.679  1.0
  F  F5  1  0.544  0.239  0.821  1.0
  F  F6  1  0.239  0.544  0.321  1.0
  F  F7  1  0.456  0.761  0.179  1.0
  F  F8  1  0.282  0.141  0.753  1.0
  F  F9  1  0.859  0.718  0.747  1.0
  F  F10  1  0.718  0.859  0.247  1.0
  F  F11  1  0.141  0.282  0.253  1.0
[/CIF]
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