The material described by K4Sb2O3 crystallizes in the hexagonal P6_3mc space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. In the second K site, K(2) is bonded to one Sb(1) and six equivalent O(1) atoms to form corner-sharing KSbO6 hexagonal pyramids. In the third K site, K(3) is bonded in a 3-coordinate geometry to three equivalent Sb(1) and three equivalent O(1) atoms. In the fourth K site, K(4) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to one K(2), three equivalent K(3), and one Sb(2) atom. In the second Sb site, Sb(2) is bonded in a distorted trigonal non-coplanar geometry to one Sb(1) and three equivalent O(1) atoms. O(1) is bonded to one K(1), one K(3), one K(4), two equivalent K(2), and one Sb(2) atom to form a mixture of distorted corner and face-sharing OK5Sb octahedra. The corner-sharing octahedral tilt angles range from 5-60°. is represented by the CIF card [CIF]
data_K4Sb2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.370
_cell_length_b   6.370
_cell_length_c   14.585
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   512.469
_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  0.000  0.000  0.267  1.0
  K  K1  1  0.333  0.667  0.394  1.0
  K  K2  1  0.333  0.667  0.055  1.0
  K  K3  1  0.667  0.333  0.555  1.0
  K  K4  1  0.000  0.000  0.503  1.0
  K  K5  1  0.000  0.000  0.003  1.0
  K  K6  1  0.667  0.333  0.894  1.0
  K  K7  1  0.000  0.000  0.767  1.0
  Sb  Sb8  1  0.333  0.667  0.640  1.0
  Sb  Sb9  1  0.667  0.333  0.140  1.0
  Sb  Sb10  1  0.667  0.333  0.330  1.0
  Sb  Sb11  1  0.333  0.667  0.830  1.0
  O  O12  1  0.822  0.644  0.390  1.0
  O  O13  1  0.178  0.822  0.890  1.0
  O  O14  1  0.644  0.822  0.890  1.0
  O  O15  1  0.356  0.178  0.390  1.0
  O  O16  1  0.822  0.178  0.390  1.0
  O  O17  1  0.178  0.356  0.890  1.0
[/CIF]
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The material described by K4Sb2O3 crystallizes in the hexagonal P6_3mc space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. In the second K site, K(2) is bonded to one Sb(1) and six equivalent O(1) atoms to form corner-sharing KSbO6 hexagonal pyramids. In the third K site, K(3) is bonded in a 3-coordinate geometry to three equivalent Sb(1) and three equivalent O(1) atoms. In the fourth K site, K(4) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to one K(2), three equivalent K(3), and one Sb(2) atom. In the second Sb site, Sb(2) is bonded in a distorted trigonal non-coplanar geometry to one Sb(1) and three equivalent O(1) atoms. O(1) is bonded to one K(1), one K(3), one K(4), two equivalent K(2), and one Sb(2) atom to form a mixture of distorted corner and face-sharing OK5Sb octahedra. The corner-sharing octahedral tilt angles range from 5-60°. is represented by the CIF card [CIF]
data_K4Sb2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.370
_cell_length_b   6.370
_cell_length_c   14.585
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   512.469
_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  0.000  0.000  0.267  1.0
  K  K1  1  0.333  0.667  0.394  1.0
  K  K2  1  0.333  0.667  0.055  1.0
  K  K3  1  0.667  0.333  0.555  1.0
  K  K4  1  0.000  0.000  0.503  1.0
  K  K5  1  0.000  0.000  0.003  1.0
  K  K6  1  0.667  0.333  0.894  1.0
  K  K7  1  0.000  0.000  0.767  1.0
  Sb  Sb8  1  0.333  0.667  0.640  1.0
  Sb  Sb9  1  0.667  0.333  0.140  1.0
  Sb  Sb10  1  0.667  0.333  0.330  1.0
  Sb  Sb11  1  0.333  0.667  0.830  1.0
  O  O12  1  0.822  0.644  0.390  1.0
  O  O13  1  0.178  0.822  0.890  1.0
  O  O14  1  0.644  0.822  0.890  1.0
  O  O15  1  0.356  0.178  0.390  1.0
  O  O16  1  0.822  0.178  0.390  1.0
  O  O17  1  0.178  0.356  0.890  1.0
[/CIF]
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