The material structure described by KO13Sb5 crystallizes in the monoclinic P2_1/m space group. K(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(2), one O(5), one O(6), one O(7), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. In the second Sb site, Sb(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the third Sb site, Sb(3) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form a mixture of corner and edge-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles range from 25-46°. There are seven inequivalent O sites. In the first O site, O(7) is bonded in a distorted trigonal planar geometry to one Sb(1), one Sb(2), and one Sb(3) atom. In the second O site, O(1) is bonded in a distorted bent 150 degrees geometry to one K(1) and two equivalent Sb(3) atoms. In the third O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one Sb(3) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Sb(2), and one Sb(3) atom. In the fifth O site, O(4) is bonded in a trigonal planar geometry to one Sb(2) and two equivalent Sb(1) atoms. In the sixth O site, O(5) is bonded in a 3-coordinate geometry to one K(1), one Sb(1), and one Sb(3) atom. In the seventh O site, O(6) is bonded in a 3-coordinate geometry to one K(1), one Sb(1), and one Sb(3) atom. is represented by the CIF file [CIF]
data_KSb5O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.847
_cell_length_b   5.561
_cell_length_c   5.572
_cell_angle_alpha   72.761
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   498.480
_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  0.750  0.122  0.135  1.0
  K  K1  1  0.250  0.878  0.865  1.0
  Sb  Sb2  1  0.577  0.386  0.385  1.0
  Sb  Sb3  1  0.423  0.614  0.615  1.0
  Sb  Sb4  1  0.923  0.386  0.385  1.0
  Sb  Sb5  1  0.077  0.614  0.615  1.0
  Sb  Sb6  1  0.500  0.000  0.000  1.0
  Sb  Sb7  1  0.000  0.000  0.000  1.0
  Sb  Sb8  1  0.362  0.232  0.231  1.0
  Sb  Sb9  1  0.638  0.768  0.769  1.0
  Sb  Sb10  1  0.138  0.232  0.231  1.0
  Sb  Sb11  1  0.862  0.768  0.769  1.0
  O  O12  1  0.750  0.817  0.811  1.0
  O  O13  1  0.250  0.183  0.189  1.0
  O  O14  1  0.350  0.448  0.445  1.0
  O  O15  1  0.650  0.552  0.555  1.0
  O  O16  1  0.150  0.448  0.445  1.0
  O  O17  1  0.850  0.552  0.555  1.0
  O  O18  1  0.613  0.985  0.984  1.0
  O  O19  1  0.387  0.015  0.016  1.0
  O  O20  1  0.887  0.985  0.984  1.0
  O  O21  1  0.113  0.015  0.016  1.0
  O  O22  1  0.500  0.690  0.311  1.0
  O  O23  1  1.000  0.690  0.311  1.0
  O  O24  1  0.500  0.310  0.689  1.0
  O  O25  1  0.000  0.310  0.689  1.0
  O  O26  1  0.632  0.068  0.476  1.0
  O  O27  1  0.367  0.523  0.929  1.0
  O  O28  1  0.868  0.068  0.476  1.0
  O  O29  1  0.133  0.523  0.929  1.0
  O  O30  1  0.368  0.932  0.524  1.0
  O  O31  1  0.633  0.477  0.071  1.0
  O  O32  1  0.132  0.932  0.524  1.0
  O  O33  1  0.867  0.477  0.071  1.0
  O  O34  1  0.510  0.772  0.777  1.0
  O  O35  1  0.490  0.228  0.223  1.0
  O  O36  1  0.990  0.772  0.777  1.0
  O  O37  1  0.010  0.228  0.223  1.0
[/CIF]
.
The material structure described by KO13Sb5 crystallizes in the monoclinic P2_1/m space group. K(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(2), one O(5), one O(6), one O(7), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. In the second Sb site, Sb(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the third Sb site, Sb(3) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form a mixture of corner and edge-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles range from 25-46°. There are seven inequivalent O sites. In the first O site, O(7) is bonded in a distorted trigonal planar geometry to one Sb(1), one Sb(2), and one Sb(3) atom. In the second O site, O(1) is bonded in a distorted bent 150 degrees geometry to one K(1) and two equivalent Sb(3) atoms. In the third O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one Sb(3) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Sb(2), and one Sb(3) atom. In the fifth O site, O(4) is bonded in a trigonal planar geometry to one Sb(2) and two equivalent Sb(1) atoms. In the sixth O site, O(5) is bonded in a 3-coordinate geometry to one K(1), one Sb(1), and one Sb(3) atom. In the seventh O site, O(6) is bonded in a 3-coordinate geometry to one K(1), one Sb(1), and one Sb(3) atom. is represented by the CIF file [CIF]
data_KSb5O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.847
_cell_length_b   5.561
_cell_length_c   5.572
_cell_angle_alpha   72.761
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   498.480
_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  0.750  0.122  0.135  1.0
  K  K1  1  0.250  0.878  0.865  1.0
  Sb  Sb2  1  0.577  0.386  0.385  1.0
  Sb  Sb3  1  0.423  0.614  0.615  1.0
  Sb  Sb4  1  0.923  0.386  0.385  1.0
  Sb  Sb5  1  0.077  0.614  0.615  1.0
  Sb  Sb6  1  0.500  0.000  0.000  1.0
  Sb  Sb7  1  0.000  0.000  0.000  1.0
  Sb  Sb8  1  0.362  0.232  0.231  1.0
  Sb  Sb9  1  0.638  0.768  0.769  1.0
  Sb  Sb10  1  0.138  0.232  0.231  1.0
  Sb  Sb11  1  0.862  0.768  0.769  1.0
  O  O12  1  0.750  0.817  0.811  1.0
  O  O13  1  0.250  0.183  0.189  1.0
  O  O14  1  0.350  0.448  0.445  1.0
  O  O15  1  0.650  0.552  0.555  1.0
  O  O16  1  0.150  0.448  0.445  1.0
  O  O17  1  0.850  0.552  0.555  1.0
  O  O18  1  0.613  0.985  0.984  1.0
  O  O19  1  0.387  0.015  0.016  1.0
  O  O20  1  0.887  0.985  0.984  1.0
  O  O21  1  0.113  0.015  0.016  1.0
  O  O22  1  0.500  0.690  0.311  1.0
  O  O23  1  1.000  0.690  0.311  1.0
  O  O24  1  0.500  0.310  0.689  1.0
  O  O25  1  0.000  0.310  0.689  1.0
  O  O26  1  0.632  0.068  0.476  1.0
  O  O27  1  0.367  0.523  0.929  1.0
  O  O28  1  0.868  0.068  0.476  1.0
  O  O29  1  0.133  0.523  0.929  1.0
  O  O30  1  0.368  0.932  0.524  1.0
  O  O31  1  0.633  0.477  0.071  1.0
  O  O32  1  0.132  0.932  0.524  1.0
  O  O33  1  0.867  0.477  0.071  1.0
  O  O34  1  0.510  0.772  0.777  1.0
  O  O35  1  0.490  0.228  0.223  1.0
  O  O36  1  0.990  0.772  0.777  1.0
  O  O37  1  0.010  0.228  0.223  1.0
[/CIF]
.