The material described by K2MoO4 crystallizes in the monoclinic C2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Mo(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent K(2), and one Mo(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent K(2), and one Mo(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent K(2), and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2MoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.038
_cell_length_b   6.868
_cell_length_c   7.507
_cell_angle_alpha   112.831
_cell_angle_beta   90.000
_cell_angle_gamma   116.077
_symmetry_Int_Tables_number   1
_cell_volume   252.209
_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  0.509  0.019  0.235  1.0
  K  K1  1  0.491  0.981  0.765  1.0
  K  K2  1  0.155  0.310  0.749  1.0
  K  K3  1  0.845  0.690  0.251  1.0
  Mo  Mo4  1  0.176  0.351  0.226  1.0
  Mo  Mo5  1  0.824  0.649  0.774  1.0
  O  O6  1  0.381  0.285  0.075  1.0
  O  O7  1  0.096  0.715  0.925  1.0
  O  O8  1  0.619  0.715  0.925  1.0
  O  O9  1  0.904  0.285  0.075  1.0
  O  O10  1  0.912  0.824  0.640  1.0
  O  O11  1  0.088  0.176  0.360  1.0
  O  O12  1  0.332  0.664  0.382  1.0
  O  O13  1  0.668  0.336  0.618  1.0
[/CIF]
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The material described by K2MoO4 crystallizes in the monoclinic C2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Mo(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent K(2), and one Mo(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent K(2), and one Mo(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent K(2), and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2MoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.038
_cell_length_b   6.868
_cell_length_c   7.507
_cell_angle_alpha   112.831
_cell_angle_beta   90.000
_cell_angle_gamma   116.077
_symmetry_Int_Tables_number   1
_cell_volume   252.209
_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  0.509  0.019  0.235  1.0
  K  K1  1  0.491  0.981  0.765  1.0
  K  K2  1  0.155  0.310  0.749  1.0
  K  K3  1  0.845  0.690  0.251  1.0
  Mo  Mo4  1  0.176  0.351  0.226  1.0
  Mo  Mo5  1  0.824  0.649  0.774  1.0
  O  O6  1  0.381  0.285  0.075  1.0
  O  O7  1  0.096  0.715  0.925  1.0
  O  O8  1  0.619  0.715  0.925  1.0
  O  O9  1  0.904  0.285  0.075  1.0
  O  O10  1  0.912  0.824  0.640  1.0
  O  O11  1  0.088  0.176  0.360  1.0
  O  O12  1  0.332  0.664  0.382  1.0
  O  O13  1  0.668  0.336  0.618  1.0
[/CIF]
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