The material described by NaInF6(Tl)2 is alpha Rhenium trioxide-derived structured and crystallizes in the cubic Fm-3m space group. The structure consists of eight 7440-28-0 atoms inside a NaInF6 framework. In the NaInF6 framework, Na(1) is bonded to six equivalent F(1) atoms to form NaF6 octahedra that share corners with six equivalent In(1)F6 octahedra. The corner-sharing octahedra are not tilted. In(1) is bonded to six equivalent F(1) atoms to form InF6 octahedra that share corners with six equivalent Na(1)F6 octahedra. The corner-sharing octahedra are not tilted. F(1) is bonded in a linear geometry to one Na(1) and one In(1) atom. is represented by the CIF file [CIF]
data_NaTl2InF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.246
_cell_length_b   6.246
_cell_length_c   6.246
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   172.335
_cell_formula_units_Z   1
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
  Na  Na0  1  0.500  0.500  0.500  1.0
  Tl  Tl1  1  0.250  0.250  0.250  1.0
  Tl  Tl2  1  0.750  0.750  0.750  1.0
  In  In3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.239  0.761  0.761  1.0
  F  F5  1  0.239  0.761  0.239  1.0
  F  F6  1  0.761  0.239  0.761  1.0
  F  F7  1  0.761  0.761  0.239  1.0
  F  F8  1  0.239  0.239  0.761  1.0
  F  F9  1  0.761  0.239  0.239  1.0
[/CIF]
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The material described by NaInF6(Tl)2 is alpha Rhenium trioxide-derived structured and crystallizes in the cubic Fm-3m space group. The structure consists of eight 7440-28-0 atoms inside a NaInF6 framework. In the NaInF6 framework, Na(1) is bonded to six equivalent F(1) atoms to form NaF6 octahedra that share corners with six equivalent In(1)F6 octahedra. The corner-sharing octahedra are not tilted. In(1) is bonded to six equivalent F(1) atoms to form InF6 octahedra that share corners with six equivalent Na(1)F6 octahedra. The corner-sharing octahedra are not tilted. F(1) is bonded in a linear geometry to one Na(1) and one In(1) atom. is represented by the CIF file [CIF]
data_NaTl2InF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.246
_cell_length_b   6.246
_cell_length_c   6.246
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   172.335
_cell_formula_units_Z   1
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
  Na  Na0  1  0.500  0.500  0.500  1.0
  Tl  Tl1  1  0.250  0.250  0.250  1.0
  Tl  Tl2  1  0.750  0.750  0.750  1.0
  In  In3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.239  0.761  0.761  1.0
  F  F5  1  0.239  0.761  0.239  1.0
  F  F6  1  0.761  0.239  0.761  1.0
  F  F7  1  0.761  0.761  0.239  1.0
  F  F8  1  0.239  0.239  0.761  1.0
  F  F9  1  0.761  0.239  0.239  1.0
[/CIF]
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