The material described by K2Mo8O13 crystallizes in the orthorhombic Cmmm space group. K(1) is bonded in a body-centered cubic geometry to four equivalent O(3) and four equivalent O(4) atoms. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(5), and four equivalent O(3) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedra are not tilted. In the second Mo site, Mo(2) is bonded to one O(2) and four equivalent O(4) atoms to form MoO5 square pyramids that share corners with two equivalent Mo(4)O6 octahedra and edges with two equivalent Mo(2)O5 square pyramids. The corner-sharing octahedral tilt angles are 53°. In the third Mo site, Mo(3) is bonded in a see-saw-like geometry to two equivalent O(1) and two equivalent O(4) atoms. In the fourth Mo site, Mo(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form MoO6 octahedra that share corners with two equivalent Mo(4)O6 octahedra, corners with two equivalent Mo(2)O5 square pyramids, edges with three equivalent Mo(4)O6 octahedra, and edges with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are five inequivalent O sites. In the first O site, O(5) is bonded to two equivalent Mo(1) and four equivalent Mo(4) atoms to form edge-sharing OMo6 octahedra. In the second O site, O(1) is bonded in a trigonal planar geometry to one Mo(1) and two equivalent Mo(3) atoms. In the third O site, O(2) is bonded in a trigonal planar geometry to one Mo(2) and two equivalent Mo(4) atoms. In the fourth O site, O(3) is bonded in a 5-coordinate geometry to two equivalent K(1), one Mo(4), and two equivalent Mo(1) atoms. In the fifth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent K(1), one Mo(3), and two equivalent Mo(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2Mo8O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.194
_cell_length_b   10.194
_cell_length_c   3.291
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.519
_symmetry_Int_Tables_number   1
_cell_volume   341.976
_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  0.000  0.500  0.500  1.0
  K  K1  1  0.500  0.000  0.500  1.0
  Mo  Mo2  1  0.341  0.659  0.500  1.0
  Mo  Mo3  1  0.659  0.341  0.500  1.0
  Mo  Mo4  1  0.151  0.151  0.500  1.0
  Mo  Mo5  1  0.849  0.849  0.500  1.0
  Mo  Mo6  1  0.115  0.885  0.000  1.0
  Mo  Mo7  1  0.885  0.115  0.000  1.0
  Mo  Mo8  1  0.381  0.381  0.000  1.0
  Mo  Mo9  1  0.619  0.619  0.000  1.0
  O  O10  1  0.199  0.801  0.500  1.0
  O  O11  1  0.801  0.199  0.500  1.0
  O  O12  1  0.295  0.295  0.500  1.0
  O  O13  1  0.705  0.705  0.500  1.0
  O  O14  1  0.740  0.453  0.000  1.0
  O  O15  1  0.260  0.547  0.000  1.0
  O  O16  1  0.758  0.951  0.000  1.0
  O  O17  1  0.242  0.049  0.000  1.0
  O  O18  1  0.951  0.758  0.000  1.0
  O  O19  1  0.049  0.242  0.000  1.0
  O  O20  1  0.453  0.740  0.000  1.0
  O  O21  1  0.547  0.260  0.000  1.0
  O  O22  1  0.500  0.500  0.500  1.0
[/CIF]
.
The material described by K2Mo8O13 crystallizes in the orthorhombic Cmmm space group. K(1) is bonded in a body-centered cubic geometry to four equivalent O(3) and four equivalent O(4) atoms. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(5), and four equivalent O(3) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedra are not tilted. In the second Mo site, Mo(2) is bonded to one O(2) and four equivalent O(4) atoms to form MoO5 square pyramids that share corners with two equivalent Mo(4)O6 octahedra and edges with two equivalent Mo(2)O5 square pyramids. The corner-sharing octahedral tilt angles are 53°. In the third Mo site, Mo(3) is bonded in a see-saw-like geometry to two equivalent O(1) and two equivalent O(4) atoms. In the fourth Mo site, Mo(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form MoO6 octahedra that share corners with two equivalent Mo(4)O6 octahedra, corners with two equivalent Mo(2)O5 square pyramids, edges with three equivalent Mo(4)O6 octahedra, and edges with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are five inequivalent O sites. In the first O site, O(5) is bonded to two equivalent Mo(1) and four equivalent Mo(4) atoms to form edge-sharing OMo6 octahedra. In the second O site, O(1) is bonded in a trigonal planar geometry to one Mo(1) and two equivalent Mo(3) atoms. In the third O site, O(2) is bonded in a trigonal planar geometry to one Mo(2) and two equivalent Mo(4) atoms. In the fourth O site, O(3) is bonded in a 5-coordinate geometry to two equivalent K(1), one Mo(4), and two equivalent Mo(1) atoms. In the fifth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent K(1), one Mo(3), and two equivalent Mo(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2Mo8O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.194
_cell_length_b   10.194
_cell_length_c   3.291
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.519
_symmetry_Int_Tables_number   1
_cell_volume   341.976
_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  0.000  0.500  0.500  1.0
  K  K1  1  0.500  0.000  0.500  1.0
  Mo  Mo2  1  0.341  0.659  0.500  1.0
  Mo  Mo3  1  0.659  0.341  0.500  1.0
  Mo  Mo4  1  0.151  0.151  0.500  1.0
  Mo  Mo5  1  0.849  0.849  0.500  1.0
  Mo  Mo6  1  0.115  0.885  0.000  1.0
  Mo  Mo7  1  0.885  0.115  0.000  1.0
  Mo  Mo8  1  0.381  0.381  0.000  1.0
  Mo  Mo9  1  0.619  0.619  0.000  1.0
  O  O10  1  0.199  0.801  0.500  1.0
  O  O11  1  0.801  0.199  0.500  1.0
  O  O12  1  0.295  0.295  0.500  1.0
  O  O13  1  0.705  0.705  0.500  1.0
  O  O14  1  0.740  0.453  0.000  1.0
  O  O15  1  0.260  0.547  0.000  1.0
  O  O16  1  0.758  0.951  0.000  1.0
  O  O17  1  0.242  0.049  0.000  1.0
  O  O18  1  0.951  0.758  0.000  1.0
  O  O19  1  0.049  0.242  0.000  1.0
  O  O20  1  0.453  0.740  0.000  1.0
  O  O21  1  0.547  0.260  0.000  1.0
  O  O22  1  0.500  0.500  0.500  1.0
[/CIF]
.