The compound described by Cs2Mo5O16 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 10-coordinate geometry to one O(1), one O(6), two equivalent O(4), three equivalent O(7), and three equivalent O(8) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(6), one O(8), and two equivalent O(5) atoms. There are eight inequivalent O sites. In the first O site, O(2) is bonded in a distorted single-bond geometry to one Mo(2) and one Mo(3) atom. In the second O site, O(3) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the third O site, O(4) is bonded in a single-bond geometry to two equivalent Cs(1) and one Mo(2) atom. In the fourth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mo(2) and two equivalent Mo(3) atoms. In the fifth O site, O(6) is bonded in a single-bond geometry to one Cs(1), one Mo(1), and one Mo(3) atom. In the sixth O site, O(7) is bonded in a single-bond geometry to three equivalent Cs(1) and one Mo(2) atom. In the seventh O site, O(8) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Mo(3) atom. In the eighth O site, O(1) is bonded in a distorted trigonal planar geometry to one Cs(1), one Mo(1), and one Mo(2) atom. is represented by the CIF card [CIF]
data_Cs2Mo5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.453
_cell_length_b   11.453
_cell_length_c   14.748
_cell_angle_alpha   58.771
_cell_angle_beta   58.771
_cell_angle_gamma   28.893
_symmetry_Int_Tables_number   1
_cell_volume   789.467
_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
  Cs  Cs0  1  0.946  0.617  0.333  1.0
  Cs  Cs1  1  0.383  0.054  0.167  1.0
  Cs  Cs2  1  0.054  0.383  0.667  1.0
  Cs  Cs3  1  0.617  0.946  0.833  1.0
  Mo  Mo4  1  0.125  0.875  0.250  1.0
  Mo  Mo5  1  0.875  0.125  0.750  1.0
  Mo  Mo6  1  0.673  0.112  0.462  1.0
  Mo  Mo7  1  0.888  0.327  0.038  1.0
  Mo  Mo8  1  0.327  0.888  0.538  1.0
  Mo  Mo9  1  0.112  0.673  0.962  1.0
  Mo  Mo10  1  0.269  0.610  0.605  1.0
  Mo  Mo11  1  0.390  0.731  0.895  1.0
  Mo  Mo12  1  0.731  0.390  0.395  1.0
  Mo  Mo13  1  0.610  0.269  0.105  1.0
  O  O14  1  0.931  0.875  0.366  1.0
  O  O15  1  0.125  0.069  0.134  1.0
  O  O16  1  0.069  0.125  0.634  1.0
  O  O17  1  0.875  0.931  0.866  1.0
  O  O18  1  0.030  0.826  0.537  1.0
  O  O19  1  0.174  0.970  0.963  1.0
  O  O20  1  0.970  0.174  0.463  1.0
  O  O21  1  0.826  0.030  0.037  1.0
  O  O22  1  0.174  0.808  0.659  1.0
  O  O23  1  0.192  0.826  0.841  1.0
  O  O24  1  0.826  0.192  0.341  1.0
  O  O25  1  0.808  0.174  0.159  1.0
  O  O26  1  0.415  0.317  0.417  1.0
  O  O27  1  0.683  0.585  0.083  1.0
  O  O28  1  0.585  0.683  0.583  1.0
  O  O29  1  0.317  0.415  0.917  1.0
  O  O30  1  0.545  0.345  0.516  1.0
  O  O31  1  0.655  0.455  0.984  1.0
  O  O32  1  0.455  0.655  0.484  1.0
  O  O33  1  0.345  0.545  0.016  1.0
  O  O34  1  0.659  0.283  0.687  1.0
  O  O35  1  0.717  0.341  0.813  1.0
  O  O36  1  0.341  0.717  0.313  1.0
  O  O37  1  0.283  0.659  0.187  1.0
  O  O38  1  0.664  0.963  0.584  1.0
  O  O39  1  0.037  0.336  0.916  1.0
  O  O40  1  0.336  0.037  0.416  1.0
  O  O41  1  0.963  0.664  0.084  1.0
  O  O42  1  0.226  0.480  0.716  1.0
  O  O43  1  0.520  0.774  0.784  1.0
  O  O44  1  0.774  0.520  0.284  1.0
  O  O45  1  0.480  0.226  0.216  1.0
[/CIF]
.
The compound described by Cs2Mo5O16 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 10-coordinate geometry to one O(1), one O(6), two equivalent O(4), three equivalent O(7), and three equivalent O(8) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(6), one O(8), and two equivalent O(5) atoms. There are eight inequivalent O sites. In the first O site, O(2) is bonded in a distorted single-bond geometry to one Mo(2) and one Mo(3) atom. In the second O site, O(3) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the third O site, O(4) is bonded in a single-bond geometry to two equivalent Cs(1) and one Mo(2) atom. In the fourth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mo(2) and two equivalent Mo(3) atoms. In the fifth O site, O(6) is bonded in a single-bond geometry to one Cs(1), one Mo(1), and one Mo(3) atom. In the sixth O site, O(7) is bonded in a single-bond geometry to three equivalent Cs(1) and one Mo(2) atom. In the seventh O site, O(8) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Mo(3) atom. In the eighth O site, O(1) is bonded in a distorted trigonal planar geometry to one Cs(1), one Mo(1), and one Mo(2) atom. is represented by the CIF card [CIF]
data_Cs2Mo5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.453
_cell_length_b   11.453
_cell_length_c   14.748
_cell_angle_alpha   58.771
_cell_angle_beta   58.771
_cell_angle_gamma   28.893
_symmetry_Int_Tables_number   1
_cell_volume   789.467
_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
  Cs  Cs0  1  0.946  0.617  0.333  1.0
  Cs  Cs1  1  0.383  0.054  0.167  1.0
  Cs  Cs2  1  0.054  0.383  0.667  1.0
  Cs  Cs3  1  0.617  0.946  0.833  1.0
  Mo  Mo4  1  0.125  0.875  0.250  1.0
  Mo  Mo5  1  0.875  0.125  0.750  1.0
  Mo  Mo6  1  0.673  0.112  0.462  1.0
  Mo  Mo7  1  0.888  0.327  0.038  1.0
  Mo  Mo8  1  0.327  0.888  0.538  1.0
  Mo  Mo9  1  0.112  0.673  0.962  1.0
  Mo  Mo10  1  0.269  0.610  0.605  1.0
  Mo  Mo11  1  0.390  0.731  0.895  1.0
  Mo  Mo12  1  0.731  0.390  0.395  1.0
  Mo  Mo13  1  0.610  0.269  0.105  1.0
  O  O14  1  0.931  0.875  0.366  1.0
  O  O15  1  0.125  0.069  0.134  1.0
  O  O16  1  0.069  0.125  0.634  1.0
  O  O17  1  0.875  0.931  0.866  1.0
  O  O18  1  0.030  0.826  0.537  1.0
  O  O19  1  0.174  0.970  0.963  1.0
  O  O20  1  0.970  0.174  0.463  1.0
  O  O21  1  0.826  0.030  0.037  1.0
  O  O22  1  0.174  0.808  0.659  1.0
  O  O23  1  0.192  0.826  0.841  1.0
  O  O24  1  0.826  0.192  0.341  1.0
  O  O25  1  0.808  0.174  0.159  1.0
  O  O26  1  0.415  0.317  0.417  1.0
  O  O27  1  0.683  0.585  0.083  1.0
  O  O28  1  0.585  0.683  0.583  1.0
  O  O29  1  0.317  0.415  0.917  1.0
  O  O30  1  0.545  0.345  0.516  1.0
  O  O31  1  0.655  0.455  0.984  1.0
  O  O32  1  0.455  0.655  0.484  1.0
  O  O33  1  0.345  0.545  0.016  1.0
  O  O34  1  0.659  0.283  0.687  1.0
  O  O35  1  0.717  0.341  0.813  1.0
  O  O36  1  0.341  0.717  0.313  1.0
  O  O37  1  0.283  0.659  0.187  1.0
  O  O38  1  0.664  0.963  0.584  1.0
  O  O39  1  0.037  0.336  0.916  1.0
  O  O40  1  0.336  0.037  0.416  1.0
  O  O41  1  0.963  0.664  0.084  1.0
  O  O42  1  0.226  0.480  0.716  1.0
  O  O43  1  0.520  0.774  0.784  1.0
  O  O44  1  0.774  0.520  0.284  1.0
  O  O45  1  0.480  0.226  0.216  1.0
[/CIF]
.