The material structure described by K3(MoO3)10 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 10-coordinate geometry to two equivalent O(3), four equivalent O(10), and four equivalent O(8) atoms. In the second K site, K(2) is bonded in a distorted pentagonal bipyramidal geometry to one O(2), two equivalent O(10), two equivalent O(8), and two equivalent O(9) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and two equivalent O(9) atoms. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(8), one O(9), and two equivalent O(11) atoms. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(6), one O(7), and one O(9) atom. There are eleven inequivalent O sites. In the first O site, O(4) is bonded in a linear geometry to two equivalent Mo(2) atoms. In the second O site, O(5) is bonded in a distorted T-shaped geometry to one Mo(1) and two equivalent Mo(2) atoms. In the third O site, O(6) is bonded in a 3-coordinate geometry to one Mo(1) and two equivalent Mo(3) atoms. In the fourth O site, O(7) is bonded in a linear geometry to two equivalent Mo(3) atoms. In the fifth O site, O(8) is bonded in a distorted single-bond geometry to one K(1), one K(2), and one Mo(2) atom. In the sixth O site, O(9) is bonded to one K(2), one Mo(1), one Mo(2), and one Mo(3) atom to form distorted corner-sharing OKMo3 tetrahedra. In the seventh O site, O(10) is bonded in a distorted single-bond geometry to one K(1), one K(2), and one Mo(3) atom. In the eighth O site, O(11) is bonded in a 3-coordinate geometry to one Mo(3) and two equivalent Mo(2) atoms. In the ninth O site, O(1) is bonded in a linear geometry to two equivalent Mo(3) atoms. In the tenth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one K(2) and one Mo(1) atom. In the eleventh O site, O(3) is bonded in a single-bond geometry to one K(1) and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3(MoO3)10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.253
_cell_length_b   10.253
_cell_length_c   10.232
_cell_angle_alpha   63.164
_cell_angle_beta   63.164
_cell_angle_gamma   44.089
_symmetry_Int_Tables_number   1
_cell_volume   653.688
_cell_formula_units_Z   1
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  0.500  0.500  0.500  1.0
  K  K1  1  0.184  0.184  0.272  1.0
  K  K2  1  0.816  0.816  0.728  1.0
  Mo  Mo3  1  0.777  0.777  0.172  1.0
  Mo  Mo4  1  0.223  0.223  0.828  1.0
  Mo  Mo5  1  0.333  0.823  0.041  1.0
  Mo  Mo6  1  0.177  0.667  0.959  1.0
  Mo  Mo7  1  0.667  0.177  0.959  1.0
  Mo  Mo8  1  0.823  0.333  0.041  1.0
  Mo  Mo9  1  0.611  0.110  0.345  1.0
  Mo  Mo10  1  0.890  0.389  0.655  1.0
  Mo  Mo11  1  0.389  0.890  0.655  1.0
  Mo  Mo12  1  0.110  0.611  0.345  1.0
  O  O13  1  0.500  0.000  0.500  1.0
  O  O14  1  0.000  0.500  0.500  1.0
  O  O15  1  0.754  0.754  0.027  1.0
  O  O16  1  0.246  0.246  0.973  1.0
  O  O17  1  0.684  0.684  0.333  1.0
  O  O18  1  0.316  0.316  0.667  1.0
  O  O19  1  0.578  0.578  0.015  1.0
  O  O20  1  0.422  0.422  0.985  1.0
  O  O21  1  0.088  0.088  0.006  1.0
  O  O22  1  0.912  0.912  0.994  1.0
  O  O23  1  0.844  0.844  0.312  1.0
  O  O24  1  0.156  0.156  0.688  1.0
  O  O25  1  0.358  0.358  0.330  1.0
  O  O26  1  0.642  0.642  0.670  1.0
  O  O27  1  0.351  0.845  0.189  1.0
  O  O28  1  0.155  0.649  0.811  1.0
  O  O29  1  0.649  0.155  0.811  1.0
  O  O30  1  0.845  0.351  0.189  1.0
  O  O31  1  0.573  0.058  0.161  1.0
  O  O32  1  0.942  0.427  0.839  1.0
  O  O33  1  0.427  0.942  0.839  1.0
  O  O34  1  0.058  0.573  0.161  1.0
  O  O35  1  0.688  0.129  0.449  1.0
  O  O36  1  0.871  0.312  0.551  1.0
  O  O37  1  0.312  0.871  0.551  1.0
  O  O38  1  0.129  0.688  0.449  1.0
  O  O39  1  0.714  0.206  0.146  1.0
  O  O40  1  0.794  0.286  0.854  1.0
  O  O41  1  0.286  0.794  0.854  1.0
  O  O42  1  0.206  0.714  0.146  1.0
[/CIF]
.
The material structure described by K3(MoO3)10 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 10-coordinate geometry to two equivalent O(3), four equivalent O(10), and four equivalent O(8) atoms. In the second K site, K(2) is bonded in a distorted pentagonal bipyramidal geometry to one O(2), two equivalent O(10), two equivalent O(8), and two equivalent O(9) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and two equivalent O(9) atoms. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(8), one O(9), and two equivalent O(11) atoms. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(6), one O(7), and one O(9) atom. There are eleven inequivalent O sites. In the first O site, O(4) is bonded in a linear geometry to two equivalent Mo(2) atoms. In the second O site, O(5) is bonded in a distorted T-shaped geometry to one Mo(1) and two equivalent Mo(2) atoms. In the third O site, O(6) is bonded in a 3-coordinate geometry to one Mo(1) and two equivalent Mo(3) atoms. In the fourth O site, O(7) is bonded in a linear geometry to two equivalent Mo(3) atoms. In the fifth O site, O(8) is bonded in a distorted single-bond geometry to one K(1), one K(2), and one Mo(2) atom. In the sixth O site, O(9) is bonded to one K(2), one Mo(1), one Mo(2), and one Mo(3) atom to form distorted corner-sharing OKMo3 tetrahedra. In the seventh O site, O(10) is bonded in a distorted single-bond geometry to one K(1), one K(2), and one Mo(3) atom. In the eighth O site, O(11) is bonded in a 3-coordinate geometry to one Mo(3) and two equivalent Mo(2) atoms. In the ninth O site, O(1) is bonded in a linear geometry to two equivalent Mo(3) atoms. In the tenth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one K(2) and one Mo(1) atom. In the eleventh O site, O(3) is bonded in a single-bond geometry to one K(1) and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3(MoO3)10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.253
_cell_length_b   10.253
_cell_length_c   10.232
_cell_angle_alpha   63.164
_cell_angle_beta   63.164
_cell_angle_gamma   44.089
_symmetry_Int_Tables_number   1
_cell_volume   653.688
_cell_formula_units_Z   1
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  0.500  0.500  0.500  1.0
  K  K1  1  0.184  0.184  0.272  1.0
  K  K2  1  0.816  0.816  0.728  1.0
  Mo  Mo3  1  0.777  0.777  0.172  1.0
  Mo  Mo4  1  0.223  0.223  0.828  1.0
  Mo  Mo5  1  0.333  0.823  0.041  1.0
  Mo  Mo6  1  0.177  0.667  0.959  1.0
  Mo  Mo7  1  0.667  0.177  0.959  1.0
  Mo  Mo8  1  0.823  0.333  0.041  1.0
  Mo  Mo9  1  0.611  0.110  0.345  1.0
  Mo  Mo10  1  0.890  0.389  0.655  1.0
  Mo  Mo11  1  0.389  0.890  0.655  1.0
  Mo  Mo12  1  0.110  0.611  0.345  1.0
  O  O13  1  0.500  0.000  0.500  1.0
  O  O14  1  0.000  0.500  0.500  1.0
  O  O15  1  0.754  0.754  0.027  1.0
  O  O16  1  0.246  0.246  0.973  1.0
  O  O17  1  0.684  0.684  0.333  1.0
  O  O18  1  0.316  0.316  0.667  1.0
  O  O19  1  0.578  0.578  0.015  1.0
  O  O20  1  0.422  0.422  0.985  1.0
  O  O21  1  0.088  0.088  0.006  1.0
  O  O22  1  0.912  0.912  0.994  1.0
  O  O23  1  0.844  0.844  0.312  1.0
  O  O24  1  0.156  0.156  0.688  1.0
  O  O25  1  0.358  0.358  0.330  1.0
  O  O26  1  0.642  0.642  0.670  1.0
  O  O27  1  0.351  0.845  0.189  1.0
  O  O28  1  0.155  0.649  0.811  1.0
  O  O29  1  0.649  0.155  0.811  1.0
  O  O30  1  0.845  0.351  0.189  1.0
  O  O31  1  0.573  0.058  0.161  1.0
  O  O32  1  0.942  0.427  0.839  1.0
  O  O33  1  0.427  0.942  0.839  1.0
  O  O34  1  0.058  0.573  0.161  1.0
  O  O35  1  0.688  0.129  0.449  1.0
  O  O36  1  0.871  0.312  0.551  1.0
  O  O37  1  0.312  0.871  0.551  1.0
  O  O38  1  0.129  0.688  0.449  1.0
  O  O39  1  0.714  0.206  0.146  1.0
  O  O40  1  0.794  0.286  0.854  1.0
  O  O41  1  0.286  0.794  0.854  1.0
  O  O42  1  0.206  0.714  0.146  1.0
[/CIF]
.