The compound described by K2O is Baddeleyite-like structured and crystallizes in the orthorhombic Pbca space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to four equivalent O(1) atoms to form a mixture of edge and corner-sharing KO4 tetrahedra. In the second K site, K(2) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded to three equivalent K(2) and four equivalent K(1) atoms to form a mixture of distorted edge and corner-sharing OK7 pentagonal bipyramids. is represented by the CIF card [CIF]
data_K2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.789
_cell_length_b   6.572
_cell_length_c   6.351
_cell_angle_alpha   89.998
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   533.785
_cell_formula_units_Z   8
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  0.020  0.738  0.001  1.0
  K  K1  1  0.020  0.762  0.501  1.0
  K  K2  1  0.205  0.123  0.141  1.0
  K  K3  1  0.205  0.377  0.641  1.0
  K  K4  1  0.295  0.877  0.641  1.0
  K  K5  1  0.295  0.623  0.141  1.0
  K  K6  1  0.480  0.238  0.001  1.0
  K  K7  1  0.480  0.262  0.501  1.0
  K  K8  1  0.520  0.738  0.499  1.0
  K  K9  1  0.520  0.762  0.999  1.0
  K  K10  1  0.705  0.123  0.359  1.0
  K  K11  1  0.705  0.377  0.859  1.0
  K  K12  1  0.795  0.623  0.359  1.0
  K  K13  1  0.795  0.877  0.859  1.0
  K  K14  1  0.980  0.238  0.499  1.0
  K  K15  1  0.980  0.262  0.999  1.0
  O  O16  1  0.115  0.028  0.766  1.0
  O  O17  1  0.115  0.472  0.266  1.0
  O  O18  1  0.385  0.972  0.266  1.0
  O  O19  1  0.385  0.528  0.766  1.0
  O  O20  1  0.615  0.028  0.734  1.0
  O  O21  1  0.615  0.472  0.234  1.0
  O  O22  1  0.885  0.528  0.734  1.0
  O  O23  1  0.885  0.972  0.234  1.0
[/CIF]
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The compound described by K2O is Baddeleyite-like structured and crystallizes in the orthorhombic Pbca space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to four equivalent O(1) atoms to form a mixture of edge and corner-sharing KO4 tetrahedra. In the second K site, K(2) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded to three equivalent K(2) and four equivalent K(1) atoms to form a mixture of distorted edge and corner-sharing OK7 pentagonal bipyramids. is represented by the CIF card [CIF]
data_K2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.789
_cell_length_b   6.572
_cell_length_c   6.351
_cell_angle_alpha   89.998
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   533.785
_cell_formula_units_Z   8
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  0.020  0.738  0.001  1.0
  K  K1  1  0.020  0.762  0.501  1.0
  K  K2  1  0.205  0.123  0.141  1.0
  K  K3  1  0.205  0.377  0.641  1.0
  K  K4  1  0.295  0.877  0.641  1.0
  K  K5  1  0.295  0.623  0.141  1.0
  K  K6  1  0.480  0.238  0.001  1.0
  K  K7  1  0.480  0.262  0.501  1.0
  K  K8  1  0.520  0.738  0.499  1.0
  K  K9  1  0.520  0.762  0.999  1.0
  K  K10  1  0.705  0.123  0.359  1.0
  K  K11  1  0.705  0.377  0.859  1.0
  K  K12  1  0.795  0.623  0.359  1.0
  K  K13  1  0.795  0.877  0.859  1.0
  K  K14  1  0.980  0.238  0.499  1.0
  K  K15  1  0.980  0.262  0.999  1.0
  O  O16  1  0.115  0.028  0.766  1.0
  O  O17  1  0.115  0.472  0.266  1.0
  O  O18  1  0.385  0.972  0.266  1.0
  O  O19  1  0.385  0.528  0.766  1.0
  O  O20  1  0.615  0.028  0.734  1.0
  O  O21  1  0.615  0.472  0.234  1.0
  O  O22  1  0.885  0.528  0.734  1.0
  O  O23  1  0.885  0.972  0.234  1.0
[/CIF]
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