The material described by Cs2Mo4O13 crystallizes in the triclinic P-1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(13), one O(6), one O(8), one O(9), and two equivalent O(11) atoms. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(6), two equivalent O(8), and two equivalent O(9) atoms. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one O(11), one O(2), one O(3), one O(4), one O(5), and one O(9) atom. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(10), one O(13), one O(4), one O(7), and two equivalent O(3) atoms. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(5), one O(6), one O(7), and one O(8) atom. In the fourth Mo site, Mo(4) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(4), one O(7), and two equivalent O(5) atoms. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one Mo(4) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cs(2), one Mo(1), and one Mo(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mo(1) and two equivalent Mo(2) atoms. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Mo(1), one Mo(2), and one Mo(4) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Mo(1), one Mo(3), and two equivalent Mo(4) atoms. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one Mo(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mo(2), one Mo(3), and one Mo(4) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Cs(1), two equivalent Cs(2), and one Mo(3) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one Cs(1), two equivalent Cs(2), and one Mo(1) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one Mo(2) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one Mo(1) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Mo(3) and one Mo(4) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Cs(1) and one Mo(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2Mo4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.434
_cell_length_b   8.692
_cell_length_c   10.444
_cell_angle_alpha   106.299
_cell_angle_beta   103.392
_cell_angle_gamma   109.635
_symmetry_Int_Tables_number   1
_cell_volume   645.609
_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  0.577  0.127  0.307  1.0
  Cs  Cs1  1  0.423  0.873  0.693  1.0
  Cs  Cs2  1  0.852  0.809  0.587  1.0
  Cs  Cs3  1  0.148  0.191  0.413  1.0
  Mo  Mo4  1  0.621  0.437  0.732  1.0
  Mo  Mo5  1  0.379  0.563  0.268  1.0
  Mo  Mo6  1  0.649  0.714  0.050  1.0
  Mo  Mo7  1  0.351  0.286  0.950  1.0
  Mo  Mo8  1  0.004  0.416  0.713  1.0
  Mo  Mo9  1  0.996  0.584  0.287  1.0
  Mo  Mo10  1  0.963  0.284  0.967  1.0
  Mo  Mo11  1  0.037  0.716  0.033  1.0
  O  O12  1  0.152  0.934  0.143  1.0
  O  O13  1  0.848  0.066  0.857  1.0
  O  O14  1  0.812  0.490  0.663  1.0
  O  O15  1  0.188  0.510  0.337  1.0
  O  O16  1  0.482  0.569  0.115  1.0
  O  O17  1  0.518  0.431  0.885  1.0
  O  O18  1  0.200  0.298  0.070  1.0
  O  O19  1  0.800  0.702  0.930  1.0
  O  O20  1  0.850  0.396  0.872  1.0
  O  O21  1  0.150  0.604  0.128  1.0
  O  O22  1  0.850  0.488  0.360  1.0
  O  O23  1  0.150  0.512  0.640  1.0
  O  O24  1  0.141  0.381  0.862  1.0
  O  O25  1  0.859  0.619  0.138  1.0
  O  O26  1  0.886  0.199  0.591  1.0
  O  O27  1  0.114  0.801  0.409  1.0
  O  O28  1  0.513  0.540  0.655  1.0
  O  O29  1  0.487  0.460  0.345  1.0
  O  O30  1  0.776  0.901  0.203  1.0
  O  O31  1  0.224  0.099  0.797  1.0
  O  O32  1  0.495  0.216  0.626  1.0
  O  O33  1  0.505  0.784  0.374  1.0
  O  O34  1  0.891  0.307  0.111  1.0
  O  O35  1  0.109  0.693  0.889  1.0
  O  O36  1  0.514  0.778  0.952  1.0
  O  O37  1  0.486  0.222  0.048  1.0
[/CIF]
.
The material described by Cs2Mo4O13 crystallizes in the triclinic P-1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(13), one O(6), one O(8), one O(9), and two equivalent O(11) atoms. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(6), two equivalent O(8), and two equivalent O(9) atoms. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one O(11), one O(2), one O(3), one O(4), one O(5), and one O(9) atom. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(10), one O(13), one O(4), one O(7), and two equivalent O(3) atoms. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(5), one O(6), one O(7), and one O(8) atom. In the fourth Mo site, Mo(4) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(4), one O(7), and two equivalent O(5) atoms. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one Mo(4) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cs(2), one Mo(1), and one Mo(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mo(1) and two equivalent Mo(2) atoms. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Mo(1), one Mo(2), and one Mo(4) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Mo(1), one Mo(3), and two equivalent Mo(4) atoms. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one Mo(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mo(2), one Mo(3), and one Mo(4) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Cs(1), two equivalent Cs(2), and one Mo(3) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one Cs(1), two equivalent Cs(2), and one Mo(1) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one Mo(2) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one Mo(1) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Mo(3) and one Mo(4) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Cs(1) and one Mo(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2Mo4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.434
_cell_length_b   8.692
_cell_length_c   10.444
_cell_angle_alpha   106.299
_cell_angle_beta   103.392
_cell_angle_gamma   109.635
_symmetry_Int_Tables_number   1
_cell_volume   645.609
_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  0.577  0.127  0.307  1.0
  Cs  Cs1  1  0.423  0.873  0.693  1.0
  Cs  Cs2  1  0.852  0.809  0.587  1.0
  Cs  Cs3  1  0.148  0.191  0.413  1.0
  Mo  Mo4  1  0.621  0.437  0.732  1.0
  Mo  Mo5  1  0.379  0.563  0.268  1.0
  Mo  Mo6  1  0.649  0.714  0.050  1.0
  Mo  Mo7  1  0.351  0.286  0.950  1.0
  Mo  Mo8  1  0.004  0.416  0.713  1.0
  Mo  Mo9  1  0.996  0.584  0.287  1.0
  Mo  Mo10  1  0.963  0.284  0.967  1.0
  Mo  Mo11  1  0.037  0.716  0.033  1.0
  O  O12  1  0.152  0.934  0.143  1.0
  O  O13  1  0.848  0.066  0.857  1.0
  O  O14  1  0.812  0.490  0.663  1.0
  O  O15  1  0.188  0.510  0.337  1.0
  O  O16  1  0.482  0.569  0.115  1.0
  O  O17  1  0.518  0.431  0.885  1.0
  O  O18  1  0.200  0.298  0.070  1.0
  O  O19  1  0.800  0.702  0.930  1.0
  O  O20  1  0.850  0.396  0.872  1.0
  O  O21  1  0.150  0.604  0.128  1.0
  O  O22  1  0.850  0.488  0.360  1.0
  O  O23  1  0.150  0.512  0.640  1.0
  O  O24  1  0.141  0.381  0.862  1.0
  O  O25  1  0.859  0.619  0.138  1.0
  O  O26  1  0.886  0.199  0.591  1.0
  O  O27  1  0.114  0.801  0.409  1.0
  O  O28  1  0.513  0.540  0.655  1.0
  O  O29  1  0.487  0.460  0.345  1.0
  O  O30  1  0.776  0.901  0.203  1.0
  O  O31  1  0.224  0.099  0.797  1.0
  O  O32  1  0.495  0.216  0.626  1.0
  O  O33  1  0.505  0.784  0.374  1.0
  O  O34  1  0.891  0.307  0.111  1.0
  O  O35  1  0.109  0.693  0.889  1.0
  O  O36  1  0.514  0.778  0.952  1.0
  O  O37  1  0.486  0.222  0.048  1.0
[/CIF]
.