The compound described by K5In3F14 crystallizes in the tetragonal P4/mnc space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(3), and four equivalent F(2) atoms. In the second K site, K(2) is bonded in a body-centered cubic geometry to eight equivalent F(2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form corner-sharing InF6 octahedra. The corner-sharing octahedral tilt angles are 43°. In the second In site, In(2) is bonded to two equivalent F(3) and four equivalent F(1) atoms to form corner-sharing InF6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are three inequivalent F sites. In the first F site, F(3) is bonded in a distorted single-bond geometry to four equivalent K(1) and one In(2) atom. In the second F site, F(1) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1), one In(1), and one In(2) atom. In the third F site, F(2) is bonded to one K(2), two equivalent K(1), and one In(1) atom to form a mixture of distorted corner and edge-sharing FK3In trigonal pyramids. is represented by the CIF file [CIF]
data_K5In3F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.868
_cell_length_b   7.868
_cell_length_c   11.931
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   738.594
_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
  K  K0  1  0.713  0.213  0.250  1.0
  K  K1  1  0.287  0.787  0.250  1.0
  K  K2  1  0.787  0.713  0.750  1.0
  K  K3  1  0.213  0.287  0.750  1.0
  K  K4  1  0.213  0.287  0.250  1.0
  K  K5  1  0.787  0.713  0.250  1.0
  K  K6  1  0.713  0.213  0.750  1.0
  K  K7  1  0.287  0.787  0.750  1.0
  K  K8  1  0.000  0.000  0.500  1.0
  K  K9  1  0.500  0.500  0.000  1.0
  In  In10  1  0.500  0.000  0.500  1.0
  In  In11  1  0.000  0.500  0.000  1.0
  In  In12  1  0.000  0.500  0.500  1.0
  In  In13  1  0.500  0.000  0.000  1.0
  In  In14  1  0.500  0.500  0.500  1.0
  In  In15  1  0.000  0.000  0.000  1.0
  F  F16  1  0.747  0.598  0.500  1.0
  F  F17  1  0.253  0.402  0.500  1.0
  F  F18  1  0.753  0.098  0.000  1.0
  F  F19  1  0.247  0.902  0.000  1.0
  F  F20  1  0.598  0.253  0.500  1.0
  F  F21  1  0.402  0.747  0.500  1.0
  F  F22  1  0.098  0.247  0.000  1.0
  F  F23  1  0.902  0.753  0.000  1.0
  F  F24  1  0.682  0.950  0.380  1.0
  F  F25  1  0.318  0.050  0.380  1.0
  F  F26  1  0.818  0.450  0.880  1.0
  F  F27  1  0.182  0.550  0.880  1.0
  F  F28  1  0.950  0.318  0.380  1.0
  F  F29  1  0.050  0.682  0.380  1.0
  F  F30  1  0.450  0.182  0.880  1.0
  F  F31  1  0.550  0.818  0.880  1.0
  F  F32  1  0.318  0.050  0.620  1.0
  F  F33  1  0.682  0.950  0.620  1.0
  F  F34  1  0.182  0.550  0.120  1.0
  F  F35  1  0.818  0.450  0.120  1.0
  F  F36  1  0.050  0.682  0.620  1.0
  F  F37  1  0.950  0.318  0.620  1.0
  F  F38  1  0.550  0.818  0.120  1.0
  F  F39  1  0.450  0.182  0.120  1.0
  F  F40  1  0.500  0.500  0.327  1.0
  F  F41  1  0.000  0.000  0.827  1.0
  F  F42  1  0.500  0.500  0.673  1.0
  F  F43  1  0.000  0.000  0.173  1.0
[/CIF]
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The compound described by K5In3F14 crystallizes in the tetragonal P4/mnc space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(3), and four equivalent F(2) atoms. In the second K site, K(2) is bonded in a body-centered cubic geometry to eight equivalent F(2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form corner-sharing InF6 octahedra. The corner-sharing octahedral tilt angles are 43°. In the second In site, In(2) is bonded to two equivalent F(3) and four equivalent F(1) atoms to form corner-sharing InF6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are three inequivalent F sites. In the first F site, F(3) is bonded in a distorted single-bond geometry to four equivalent K(1) and one In(2) atom. In the second F site, F(1) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1), one In(1), and one In(2) atom. In the third F site, F(2) is bonded to one K(2), two equivalent K(1), and one In(1) atom to form a mixture of distorted corner and edge-sharing FK3In trigonal pyramids. is represented by the CIF file [CIF]
data_K5In3F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.868
_cell_length_b   7.868
_cell_length_c   11.931
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   738.594
_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
  K  K0  1  0.713  0.213  0.250  1.0
  K  K1  1  0.287  0.787  0.250  1.0
  K  K2  1  0.787  0.713  0.750  1.0
  K  K3  1  0.213  0.287  0.750  1.0
  K  K4  1  0.213  0.287  0.250  1.0
  K  K5  1  0.787  0.713  0.250  1.0
  K  K6  1  0.713  0.213  0.750  1.0
  K  K7  1  0.287  0.787  0.750  1.0
  K  K8  1  0.000  0.000  0.500  1.0
  K  K9  1  0.500  0.500  0.000  1.0
  In  In10  1  0.500  0.000  0.500  1.0
  In  In11  1  0.000  0.500  0.000  1.0
  In  In12  1  0.000  0.500  0.500  1.0
  In  In13  1  0.500  0.000  0.000  1.0
  In  In14  1  0.500  0.500  0.500  1.0
  In  In15  1  0.000  0.000  0.000  1.0
  F  F16  1  0.747  0.598  0.500  1.0
  F  F17  1  0.253  0.402  0.500  1.0
  F  F18  1  0.753  0.098  0.000  1.0
  F  F19  1  0.247  0.902  0.000  1.0
  F  F20  1  0.598  0.253  0.500  1.0
  F  F21  1  0.402  0.747  0.500  1.0
  F  F22  1  0.098  0.247  0.000  1.0
  F  F23  1  0.902  0.753  0.000  1.0
  F  F24  1  0.682  0.950  0.380  1.0
  F  F25  1  0.318  0.050  0.380  1.0
  F  F26  1  0.818  0.450  0.880  1.0
  F  F27  1  0.182  0.550  0.880  1.0
  F  F28  1  0.950  0.318  0.380  1.0
  F  F29  1  0.050  0.682  0.380  1.0
  F  F30  1  0.450  0.182  0.880  1.0
  F  F31  1  0.550  0.818  0.880  1.0
  F  F32  1  0.318  0.050  0.620  1.0
  F  F33  1  0.682  0.950  0.620  1.0
  F  F34  1  0.182  0.550  0.120  1.0
  F  F35  1  0.818  0.450  0.120  1.0
  F  F36  1  0.050  0.682  0.620  1.0
  F  F37  1  0.950  0.318  0.620  1.0
  F  F38  1  0.550  0.818  0.120  1.0
  F  F39  1  0.450  0.182  0.120  1.0
  F  F40  1  0.500  0.500  0.327  1.0
  F  F41  1  0.000  0.000  0.827  1.0
  F  F42  1  0.500  0.500  0.673  1.0
  F  F43  1  0.000  0.000  0.173  1.0
[/CIF]
.