The compound described by KIn3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. K(1) is bonded in a distorted body-centered cubic geometry to six equivalent In(2) and eight equivalent In(1) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent K(1) and four equivalent In(2) atoms to form a mixture of distorted edge, face, and corner-sharing InK4In4 tetrahedra. In the second In site, In(2) is bonded in a 14-coordinate geometry to six equivalent K(1) and eight equivalent In(1) atoms. is represented by the CIF card [CIF]
data_KIn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.532
_cell_length_b   5.532
_cell_length_c   5.532
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   119.718
_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
  K  K0  1  0.000  0.000  0.000  1.0
  In  In1  1  0.750  0.750  0.750  1.0
  In  In2  1  0.250  0.250  0.250  1.0
  In  In3  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by KIn3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. K(1) is bonded in a distorted body-centered cubic geometry to six equivalent In(2) and eight equivalent In(1) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent K(1) and four equivalent In(2) atoms to form a mixture of distorted edge, face, and corner-sharing InK4In4 tetrahedra. In the second In site, In(2) is bonded in a 14-coordinate geometry to six equivalent K(1) and eight equivalent In(1) atoms. is represented by the CIF card [CIF]
data_KIn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.532
_cell_length_b   5.532
_cell_length_c   5.532
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   119.718
_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
  K  K0  1  0.000  0.000  0.000  1.0
  In  In1  1  0.750  0.750  0.750  1.0
  In  In2  1  0.250  0.250  0.250  1.0
  In  In3  1  0.500  0.500  0.500  1.0
[/CIF]
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