The structure described by KNb4InO12 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded in a distorted q6 geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(4) atoms. Nb(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 19-47°. In(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one K(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Nb(1) and one In(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one K(1) and two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Nb(1) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to two equivalent Nb(1) and one In(1) atom. is represented by the CIF file [CIF]
data_KNb4InO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.532
_cell_length_b   5.532
_cell_length_c   7.973
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.682
_symmetry_Int_Tables_number   1
_cell_volume   243.979
_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  0.979  0.021  0.000  1.0
  Nb  Nb1  1  0.486  0.009  0.247  1.0
  Nb  Nb2  1  0.486  0.009  0.753  1.0
  Nb  Nb3  1  0.991  0.514  0.753  1.0
  Nb  Nb4  1  0.991  0.514  0.247  1.0
  In  In5  1  0.522  0.478  0.500  1.0
  O  O6  1  0.208  0.202  0.257  1.0
  O  O7  1  0.798  0.792  0.257  1.0
  O  O8  1  0.798  0.792  0.743  1.0
  O  O9  1  0.208  0.202  0.743  1.0
  O  O10  1  0.319  0.681  0.316  1.0
  O  O11  1  0.711  0.289  0.216  1.0
  O  O12  1  0.711  0.289  0.784  1.0
  O  O13  1  0.319  0.681  0.684  1.0
  O  O14  1  0.465  0.953  0.000  1.0
  O  O15  1  0.529  0.087  0.500  1.0
  O  O16  1  0.047  0.535  0.000  1.0
  O  O17  1  0.913  0.471  0.500  1.0
[/CIF]
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The structure described by KNb4InO12 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded in a distorted q6 geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(4) atoms. Nb(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 19-47°. In(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one K(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Nb(1) and one In(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one K(1) and two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Nb(1) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to two equivalent Nb(1) and one In(1) atom. is represented by the CIF file [CIF]
data_KNb4InO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.532
_cell_length_b   5.532
_cell_length_c   7.973
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.682
_symmetry_Int_Tables_number   1
_cell_volume   243.979
_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  0.979  0.021  0.000  1.0
  Nb  Nb1  1  0.486  0.009  0.247  1.0
  Nb  Nb2  1  0.486  0.009  0.753  1.0
  Nb  Nb3  1  0.991  0.514  0.753  1.0
  Nb  Nb4  1  0.991  0.514  0.247  1.0
  In  In5  1  0.522  0.478  0.500  1.0
  O  O6  1  0.208  0.202  0.257  1.0
  O  O7  1  0.798  0.792  0.257  1.0
  O  O8  1  0.798  0.792  0.743  1.0
  O  O9  1  0.208  0.202  0.743  1.0
  O  O10  1  0.319  0.681  0.316  1.0
  O  O11  1  0.711  0.289  0.216  1.0
  O  O12  1  0.711  0.289  0.784  1.0
  O  O13  1  0.319  0.681  0.684  1.0
  O  O14  1  0.465  0.953  0.000  1.0
  O  O15  1  0.529  0.087  0.500  1.0
  O  O16  1  0.047  0.535  0.000  1.0
  O  O17  1  0.913  0.471  0.500  1.0
[/CIF]
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