The structure described by K3InF6 crystallizes in the cubic Pn-3 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a q6 geometry to twelve equivalent F(1) atoms. In the second K site, K(2) is bonded to six equivalent F(1) atoms to form KF6 octahedra that share corners with six equivalent In(1)F6 octahedra. The corner-sharing octahedral tilt angles are 29°. In the third K site, K(3) is bonded in a distorted square co-planar geometry to four equivalent F(1) atoms. In(1) is bonded to six equivalent F(1) atoms to form InF6 octahedra that share corners with six equivalent K(2)F6 octahedra. The corner-sharing octahedral tilt angles are 29°. F(1) is bonded in a 3-coordinate geometry to one K(1), one K(2), one K(3), and one In(1) atom. is represented by the CIF file [CIF]
data_K3InF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.959
_cell_length_b   8.959
_cell_length_c   8.959
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   719.027
_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
  K  K0  1  0.000  0.000  0.000  1.0
  K  K1  1  0.500  0.500  0.500  1.0
  K  K2  1  0.250  0.250  0.250  1.0
  K  K3  1  0.750  0.250  0.750  1.0
  K  K4  1  0.750  0.750  0.250  1.0
  K  K5  1  0.250  0.750  0.750  1.0
  K  K6  1  0.000  0.500  0.000  1.0
  K  K7  1  0.000  0.000  0.500  1.0
  K  K8  1  0.500  0.000  0.000  1.0
  K  K9  1  0.500  0.000  0.500  1.0
  K  K10  1  0.500  0.500  0.000  1.0
  K  K11  1  0.000  0.500  0.500  1.0
  In  In12  1  0.750  0.750  0.750  1.0
  In  In13  1  0.250  0.750  0.250  1.0
  In  In14  1  0.250  0.250  0.750  1.0
  In  In15  1  0.750  0.250  0.250  1.0
  F  F16  1  0.711  0.974  0.801  1.0
  F  F17  1  0.801  0.711  0.974  1.0
  F  F18  1  0.974  0.801  0.711  1.0
  F  F19  1  0.026  0.801  0.289  1.0
  F  F20  1  0.199  0.289  0.974  1.0
  F  F21  1  0.199  0.711  0.026  1.0
  F  F22  1  0.974  0.199  0.289  1.0
  F  F23  1  0.801  0.289  0.026  1.0
  F  F24  1  0.026  0.199  0.711  1.0
  F  F25  1  0.289  0.026  0.801  1.0
  F  F26  1  0.289  0.974  0.199  1.0
  F  F27  1  0.711  0.026  0.199  1.0
  F  F28  1  0.789  0.526  0.699  1.0
  F  F29  1  0.699  0.789  0.526  1.0
  F  F30  1  0.526  0.699  0.789  1.0
  F  F31  1  0.474  0.699  0.211  1.0
  F  F32  1  0.301  0.211  0.526  1.0
  F  F33  1  0.301  0.789  0.474  1.0
  F  F34  1  0.526  0.301  0.211  1.0
  F  F35  1  0.699  0.211  0.474  1.0
  F  F36  1  0.474  0.301  0.789  1.0
  F  F37  1  0.211  0.474  0.699  1.0
  F  F38  1  0.211  0.526  0.301  1.0
  F  F39  1  0.789  0.474  0.301  1.0
[/CIF]
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The structure described by K3InF6 crystallizes in the cubic Pn-3 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a q6 geometry to twelve equivalent F(1) atoms. In the second K site, K(2) is bonded to six equivalent F(1) atoms to form KF6 octahedra that share corners with six equivalent In(1)F6 octahedra. The corner-sharing octahedral tilt angles are 29°. In the third K site, K(3) is bonded in a distorted square co-planar geometry to four equivalent F(1) atoms. In(1) is bonded to six equivalent F(1) atoms to form InF6 octahedra that share corners with six equivalent K(2)F6 octahedra. The corner-sharing octahedral tilt angles are 29°. F(1) is bonded in a 3-coordinate geometry to one K(1), one K(2), one K(3), and one In(1) atom. is represented by the CIF file [CIF]
data_K3InF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.959
_cell_length_b   8.959
_cell_length_c   8.959
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   719.027
_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
  K  K0  1  0.000  0.000  0.000  1.0
  K  K1  1  0.500  0.500  0.500  1.0
  K  K2  1  0.250  0.250  0.250  1.0
  K  K3  1  0.750  0.250  0.750  1.0
  K  K4  1  0.750  0.750  0.250  1.0
  K  K5  1  0.250  0.750  0.750  1.0
  K  K6  1  0.000  0.500  0.000  1.0
  K  K7  1  0.000  0.000  0.500  1.0
  K  K8  1  0.500  0.000  0.000  1.0
  K  K9  1  0.500  0.000  0.500  1.0
  K  K10  1  0.500  0.500  0.000  1.0
  K  K11  1  0.000  0.500  0.500  1.0
  In  In12  1  0.750  0.750  0.750  1.0
  In  In13  1  0.250  0.750  0.250  1.0
  In  In14  1  0.250  0.250  0.750  1.0
  In  In15  1  0.750  0.250  0.250  1.0
  F  F16  1  0.711  0.974  0.801  1.0
  F  F17  1  0.801  0.711  0.974  1.0
  F  F18  1  0.974  0.801  0.711  1.0
  F  F19  1  0.026  0.801  0.289  1.0
  F  F20  1  0.199  0.289  0.974  1.0
  F  F21  1  0.199  0.711  0.026  1.0
  F  F22  1  0.974  0.199  0.289  1.0
  F  F23  1  0.801  0.289  0.026  1.0
  F  F24  1  0.026  0.199  0.711  1.0
  F  F25  1  0.289  0.026  0.801  1.0
  F  F26  1  0.289  0.974  0.199  1.0
  F  F27  1  0.711  0.026  0.199  1.0
  F  F28  1  0.789  0.526  0.699  1.0
  F  F29  1  0.699  0.789  0.526  1.0
  F  F30  1  0.526  0.699  0.789  1.0
  F  F31  1  0.474  0.699  0.211  1.0
  F  F32  1  0.301  0.211  0.526  1.0
  F  F33  1  0.301  0.789  0.474  1.0
  F  F34  1  0.526  0.301  0.211  1.0
  F  F35  1  0.699  0.211  0.474  1.0
  F  F36  1  0.474  0.301  0.789  1.0
  F  F37  1  0.211  0.474  0.699  1.0
  F  F38  1  0.211  0.526  0.301  1.0
  F  F39  1  0.789  0.474  0.301  1.0
[/CIF]
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