The material described by K(MoO3)3 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 8-coordinate geometry to one O(4), one O(5), two equivalent O(1), and four equivalent O(2) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2), one O(3), one O(6), one O(7), and two equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 1-22°. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(4), one O(5), two equivalent O(1), and two equivalent O(7) atoms. There are seven inequivalent O sites. In the first O site, O(7) is bonded in a distorted see-saw-like geometry to two equivalent Mo(1) and two equivalent Mo(2) atoms. In the second O site, O(1) is bonded to one K(1), one Mo(2), and two equivalent Mo(1) atoms to form a mixture of distorted edge and corner-sharing OKMo3 tetrahedra. In the third O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Mo(1) atom. In the fourth O site, O(3) is bonded in a linear geometry to two equivalent Mo(1) atoms. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to one K(1) and one Mo(2) atom. In the sixth O site, O(5) is bonded in a distorted single-bond geometry to one K(1) and one Mo(2) atom. In the seventh O site, O(6) is bonded in a bent 150 degrees geometry to two equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K(MoO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.598
_cell_length_b   8.598
_cell_length_c   6.521
_cell_angle_alpha   87.986
_cell_angle_beta   87.986
_cell_angle_gamma   54.056
_symmetry_Int_Tables_number   1
_cell_volume   389.958
_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  0.701  0.701  0.158  1.0
  K  K1  1  0.299  0.299  0.842  1.0
  Mo  Mo2  1  0.796  0.317  0.733  1.0
  Mo  Mo3  1  0.683  0.204  0.267  1.0
  Mo  Mo4  1  0.119  0.119  0.366  1.0
  Mo  Mo5  1  0.881  0.881  0.634  1.0
  Mo  Mo6  1  0.317  0.796  0.733  1.0
  Mo  Mo7  1  0.204  0.683  0.267  1.0
  O  O8  1  0.158  0.682  0.586  1.0
  O  O9  1  0.318  0.842  0.414  1.0
  O  O10  1  0.842  0.318  0.414  1.0
  O  O11  1  0.682  0.158  0.586  1.0
  O  O12  1  0.100  0.573  0.199  1.0
  O  O13  1  0.427  0.900  0.801  1.0
  O  O14  1  0.900  0.427  0.801  1.0
  O  O15  1  0.573  0.100  0.199  1.0
  O  O16  1  0.742  0.258  0.000  1.0
  O  O17  1  0.258  0.742  0.000  1.0
  O  O18  1  0.783  0.783  0.511  1.0
  O  O19  1  0.217  0.217  0.489  1.0
  O  O20  1  0.852  0.852  0.893  1.0
  O  O21  1  0.148  0.148  0.107  1.0
  O  O22  1  0.463  0.463  0.294  1.0
  O  O23  1  0.537  0.537  0.706  1.0
  O  O24  1  0.963  0.963  0.307  1.0
  O  O25  1  0.037  0.037  0.693  1.0
[/CIF]
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The material described by K(MoO3)3 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 8-coordinate geometry to one O(4), one O(5), two equivalent O(1), and four equivalent O(2) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2), one O(3), one O(6), one O(7), and two equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 1-22°. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(4), one O(5), two equivalent O(1), and two equivalent O(7) atoms. There are seven inequivalent O sites. In the first O site, O(7) is bonded in a distorted see-saw-like geometry to two equivalent Mo(1) and two equivalent Mo(2) atoms. In the second O site, O(1) is bonded to one K(1), one Mo(2), and two equivalent Mo(1) atoms to form a mixture of distorted edge and corner-sharing OKMo3 tetrahedra. In the third O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Mo(1) atom. In the fourth O site, O(3) is bonded in a linear geometry to two equivalent Mo(1) atoms. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to one K(1) and one Mo(2) atom. In the sixth O site, O(5) is bonded in a distorted single-bond geometry to one K(1) and one Mo(2) atom. In the seventh O site, O(6) is bonded in a bent 150 degrees geometry to two equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K(MoO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.598
_cell_length_b   8.598
_cell_length_c   6.521
_cell_angle_alpha   87.986
_cell_angle_beta   87.986
_cell_angle_gamma   54.056
_symmetry_Int_Tables_number   1
_cell_volume   389.958
_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  0.701  0.701  0.158  1.0
  K  K1  1  0.299  0.299  0.842  1.0
  Mo  Mo2  1  0.796  0.317  0.733  1.0
  Mo  Mo3  1  0.683  0.204  0.267  1.0
  Mo  Mo4  1  0.119  0.119  0.366  1.0
  Mo  Mo5  1  0.881  0.881  0.634  1.0
  Mo  Mo6  1  0.317  0.796  0.733  1.0
  Mo  Mo7  1  0.204  0.683  0.267  1.0
  O  O8  1  0.158  0.682  0.586  1.0
  O  O9  1  0.318  0.842  0.414  1.0
  O  O10  1  0.842  0.318  0.414  1.0
  O  O11  1  0.682  0.158  0.586  1.0
  O  O12  1  0.100  0.573  0.199  1.0
  O  O13  1  0.427  0.900  0.801  1.0
  O  O14  1  0.900  0.427  0.801  1.0
  O  O15  1  0.573  0.100  0.199  1.0
  O  O16  1  0.742  0.258  0.000  1.0
  O  O17  1  0.258  0.742  0.000  1.0
  O  O18  1  0.783  0.783  0.511  1.0
  O  O19  1  0.217  0.217  0.489  1.0
  O  O20  1  0.852  0.852  0.893  1.0
  O  O21  1  0.148  0.148  0.107  1.0
  O  O22  1  0.463  0.463  0.294  1.0
  O  O23  1  0.537  0.537  0.706  1.0
  O  O24  1  0.963  0.963  0.307  1.0
  O  O25  1  0.037  0.037  0.693  1.0
[/CIF]
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