The material structure described by Mo3Re9Se16 crystallizes in the triclinic P1 space group. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 8-coordinate geometry to one Re(2), one Re(6), one Re(8), one Se(1), one Se(11), one Se(13), one Se(5), and one Se(9) atom. In the second Mo site, Mo(2) is bonded in a 9-coordinate geometry to one Re(1), one Re(3), one Re(7), one Re(9), one Se(10), one Se(12), one Se(14), one Se(2), and one Se(6) atom. In the third Mo site, Mo(3) is bonded in a 8-coordinate geometry to one Re(2), one Re(4), one Re(8), one Se(1), one Se(13), one Se(15), one Se(5), and one Se(7) atom. There are nine inequivalent Re sites. In the first Re site, Re(1) is bonded in a 6-coordinate geometry to one Mo(2), one Se(14), one Se(16), one Se(2), one Se(6), and one Se(8) atom. In the second Re site, Re(2) is bonded in a 7-coordinate geometry to one Mo(1), one Mo(3), one Se(1), one Se(11), one Se(16), one Se(7), and one Se(9) atom. In the third Re site, Re(3) is bonded in a 6-coordinate geometry to one Mo(2), one Se(10), one Se(12), one Se(15), one Se(2), and one Se(8) atom. In the fourth Re site, Re(4) is bonded in a 5-coordinate geometry to one Mo(3), one Se(11), one Se(15), one Se(3), one Se(5), and one Se(7) atom. In the fifth Re site, Re(5) is bonded in a distorted square pyramidal geometry to one Se(12), one Se(16), one Se(4), one Se(6), and one Se(8) atom. In the sixth Re site, Re(6) is bonded in a 5-coordinate geometry to one Mo(1), one Se(11), one Se(13), one Se(3), one Se(7), and one Se(9) atom. In the seventh Re site, Re(7) is bonded in a 5-coordinate geometry to one Mo(2), one Se(10), one Se(12), one Se(14), one Se(4), and one Se(8) atom. In the eighth Re site, Re(8) is bonded in a 5-coordinate geometry to one Mo(1), one Mo(3), one Se(10), one Se(13), one Se(15), one Se(3), and one Se(5) atom. In the ninth Re site, Re(9) is bonded in a 5-coordinate geometry to one Mo(2), one Se(14), one Se(16), one Se(4), one Se(6), and one Se(9) atom. There are sixteen inequivalent Se sites. In the first Se site, Se(1) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(3), and one Re(2) atom. In the second Se site, Se(2) is bonded in a 3-coordinate geometry to one Mo(2), one Re(1), and one Re(3) atom. In the third Se site, Se(3) is bonded in a 3-coordinate geometry to one Re(4), one Re(6), and one Re(8) atom. In the fourth Se site, Se(4) is bonded in a 3-coordinate geometry to one Re(5), one Re(7), and one Re(9) atom. In the fifth Se site, Se(5) is bonded in a 4-coordinate geometry to one Mo(1), one Mo(3), one Re(4), and one Re(8) atom. In the sixth Se site, Se(6) is bonded in a 4-coordinate geometry to one Mo(2), one Re(1), one Re(5), and one Re(9) atom. In the seventh Se site, Se(7) is bonded in a 4-coordinate geometry to one Mo(3), one Re(2), one Re(4), and one Re(6) atom. In the eighth Se site, Se(8) is bonded in a 4-coordinate geometry to one Re(1), one Re(3), one Re(5), and one Re(7) atom. In the ninth Se site, Se(9) is bonded in a distorted rectangular see-saw-like geometry to one Mo(1), one Re(2), one Re(6), and one Re(9) atom. In the tenth Se site, Se(10) is bonded in a distorted rectangular see-saw-like geometry to one Mo(2), one Re(3), one Re(7), and one Re(8) atom. In the eleventh Se site, Se(11) is bonded in a distorted rectangular see-saw-like geometry to one Mo(1), one Re(2), one Re(4), and one Re(6) atom. In the twelfth Se site, Se(12) is bonded in a distorted rectangular see-saw-like geometry to one Mo(2), one Re(3), one Re(5), and one Re(7) atom. In the thirteenth Se site, Se(13) is bonded in a distorted rectangular see-saw-like geometry to one Mo(1), one Mo(3), one Re(6), and one Re(8) atom. In the fourteenth Se site, Se(14) is bonded in a distorted rectangular see-saw-like geometry to one Mo(2), one Re(1), one Re(7), and one Re(9) atom. In the fifteenth Se site, Se(15) is bonded in a distorted rectangular see-saw-like geometry to one Mo(3), one Re(3), one Re(4), and one Re(8) atom. In the sixteenth Se site, Se(16) is bonded in a 4-coordinate geometry to one Re(1), one Re(2), one Re(5), and one Re(9) atom. is represented by the CIF card [CIF]
data_Re9Mo3Se16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.732
_cell_length_b   6.733
_cell_length_c   13.458
_cell_angle_alpha   93.399
_cell_angle_beta   93.641
_cell_angle_gamma   93.538
_symmetry_Int_Tables_number   1
_cell_volume   606.368
_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
  Re  Re0  1  0.414  0.236  0.274  1.0
  Re  Re1  1  0.545  0.414  0.618  1.0
  Re  Re2  1  0.546  0.415  0.118  1.0
  Re  Re3  1  0.764  0.454  0.793  1.0
  Re  Re4  1  0.764  0.455  0.292  1.0
  Re  Re5  1  0.584  0.765  0.727  1.0
  Re  Re6  1  0.585  0.766  0.226  1.0
  Re  Re7  1  0.453  0.586  0.883  1.0
  Re  Re8  1  0.453  0.585  0.383  1.0
  Mo  Mo9  1  0.233  0.545  0.707  1.0
  Mo  Mo10  1  0.234  0.546  0.207  1.0
  Mo  Mo11  1  0.413  0.234  0.774  1.0
  Se  Se12  1  0.214  0.211  0.604  1.0
  Se  Se13  1  0.216  0.209  0.106  1.0
  Se  Se14  1  0.787  0.787  0.893  1.0
  Se  Se15  1  0.786  0.786  0.393  1.0
  Se  Se16  1  0.125  0.370  0.869  1.0
  Se  Se17  1  0.126  0.367  0.368  1.0
  Se  Se18  1  0.737  0.128  0.684  1.0
  Se  Se19  1  0.735  0.127  0.185  1.0
  Se  Se20  1  0.371  0.734  0.562  1.0
  Se  Se21  1  0.370  0.734  0.062  1.0
  Se  Se22  1  0.869  0.630  0.634  1.0
  Se  Se23  1  0.871  0.632  0.133  1.0
  Se  Se24  1  0.270  0.872  0.815  1.0
  Se  Se25  1  0.270  0.876  0.316  1.0
  Se  Se26  1  0.633  0.269  0.938  1.0
  Se  Se27  1  0.631  0.266  0.437  1.0
[/CIF]
.
The material structure described by Mo3Re9Se16 crystallizes in the triclinic P1 space group. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 8-coordinate geometry to one Re(2), one Re(6), one Re(8), one Se(1), one Se(11), one Se(13), one Se(5), and one Se(9) atom. In the second Mo site, Mo(2) is bonded in a 9-coordinate geometry to one Re(1), one Re(3), one Re(7), one Re(9), one Se(10), one Se(12), one Se(14), one Se(2), and one Se(6) atom. In the third Mo site, Mo(3) is bonded in a 8-coordinate geometry to one Re(2), one Re(4), one Re(8), one Se(1), one Se(13), one Se(15), one Se(5), and one Se(7) atom. There are nine inequivalent Re sites. In the first Re site, Re(1) is bonded in a 6-coordinate geometry to one Mo(2), one Se(14), one Se(16), one Se(2), one Se(6), and one Se(8) atom. In the second Re site, Re(2) is bonded in a 7-coordinate geometry to one Mo(1), one Mo(3), one Se(1), one Se(11), one Se(16), one Se(7), and one Se(9) atom. In the third Re site, Re(3) is bonded in a 6-coordinate geometry to one Mo(2), one Se(10), one Se(12), one Se(15), one Se(2), and one Se(8) atom. In the fourth Re site, Re(4) is bonded in a 5-coordinate geometry to one Mo(3), one Se(11), one Se(15), one Se(3), one Se(5), and one Se(7) atom. In the fifth Re site, Re(5) is bonded in a distorted square pyramidal geometry to one Se(12), one Se(16), one Se(4), one Se(6), and one Se(8) atom. In the sixth Re site, Re(6) is bonded in a 5-coordinate geometry to one Mo(1), one Se(11), one Se(13), one Se(3), one Se(7), and one Se(9) atom. In the seventh Re site, Re(7) is bonded in a 5-coordinate geometry to one Mo(2), one Se(10), one Se(12), one Se(14), one Se(4), and one Se(8) atom. In the eighth Re site, Re(8) is bonded in a 5-coordinate geometry to one Mo(1), one Mo(3), one Se(10), one Se(13), one Se(15), one Se(3), and one Se(5) atom. In the ninth Re site, Re(9) is bonded in a 5-coordinate geometry to one Mo(2), one Se(14), one Se(16), one Se(4), one Se(6), and one Se(9) atom. There are sixteen inequivalent Se sites. In the first Se site, Se(1) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(3), and one Re(2) atom. In the second Se site, Se(2) is bonded in a 3-coordinate geometry to one Mo(2), one Re(1), and one Re(3) atom. In the third Se site, Se(3) is bonded in a 3-coordinate geometry to one Re(4), one Re(6), and one Re(8) atom. In the fourth Se site, Se(4) is bonded in a 3-coordinate geometry to one Re(5), one Re(7), and one Re(9) atom. In the fifth Se site, Se(5) is bonded in a 4-coordinate geometry to one Mo(1), one Mo(3), one Re(4), and one Re(8) atom. In the sixth Se site, Se(6) is bonded in a 4-coordinate geometry to one Mo(2), one Re(1), one Re(5), and one Re(9) atom. In the seventh Se site, Se(7) is bonded in a 4-coordinate geometry to one Mo(3), one Re(2), one Re(4), and one Re(6) atom. In the eighth Se site, Se(8) is bonded in a 4-coordinate geometry to one Re(1), one Re(3), one Re(5), and one Re(7) atom. In the ninth Se site, Se(9) is bonded in a distorted rectangular see-saw-like geometry to one Mo(1), one Re(2), one Re(6), and one Re(9) atom. In the tenth Se site, Se(10) is bonded in a distorted rectangular see-saw-like geometry to one Mo(2), one Re(3), one Re(7), and one Re(8) atom. In the eleventh Se site, Se(11) is bonded in a distorted rectangular see-saw-like geometry to one Mo(1), one Re(2), one Re(4), and one Re(6) atom. In the twelfth Se site, Se(12) is bonded in a distorted rectangular see-saw-like geometry to one Mo(2), one Re(3), one Re(5), and one Re(7) atom. In the thirteenth Se site, Se(13) is bonded in a distorted rectangular see-saw-like geometry to one Mo(1), one Mo(3), one Re(6), and one Re(8) atom. In the fourteenth Se site, Se(14) is bonded in a distorted rectangular see-saw-like geometry to one Mo(2), one Re(1), one Re(7), and one Re(9) atom. In the fifteenth Se site, Se(15) is bonded in a distorted rectangular see-saw-like geometry to one Mo(3), one Re(3), one Re(4), and one Re(8) atom. In the sixteenth Se site, Se(16) is bonded in a 4-coordinate geometry to one Re(1), one Re(2), one Re(5), and one Re(9) atom. is represented by the CIF card [CIF]
data_Re9Mo3Se16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.732
_cell_length_b   6.733
_cell_length_c   13.458
_cell_angle_alpha   93.399
_cell_angle_beta   93.641
_cell_angle_gamma   93.538
_symmetry_Int_Tables_number   1
_cell_volume   606.368
_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
  Re  Re0  1  0.414  0.236  0.274  1.0
  Re  Re1  1  0.545  0.414  0.618  1.0
  Re  Re2  1  0.546  0.415  0.118  1.0
  Re  Re3  1  0.764  0.454  0.793  1.0
  Re  Re4  1  0.764  0.455  0.292  1.0
  Re  Re5  1  0.584  0.765  0.727  1.0
  Re  Re6  1  0.585  0.766  0.226  1.0
  Re  Re7  1  0.453  0.586  0.883  1.0
  Re  Re8  1  0.453  0.585  0.383  1.0
  Mo  Mo9  1  0.233  0.545  0.707  1.0
  Mo  Mo10  1  0.234  0.546  0.207  1.0
  Mo  Mo11  1  0.413  0.234  0.774  1.0
  Se  Se12  1  0.214  0.211  0.604  1.0
  Se  Se13  1  0.216  0.209  0.106  1.0
  Se  Se14  1  0.787  0.787  0.893  1.0
  Se  Se15  1  0.786  0.786  0.393  1.0
  Se  Se16  1  0.125  0.370  0.869  1.0
  Se  Se17  1  0.126  0.367  0.368  1.0
  Se  Se18  1  0.737  0.128  0.684  1.0
  Se  Se19  1  0.735  0.127  0.185  1.0
  Se  Se20  1  0.371  0.734  0.562  1.0
  Se  Se21  1  0.370  0.734  0.062  1.0
  Se  Se22  1  0.869  0.630  0.634  1.0
  Se  Se23  1  0.871  0.632  0.133  1.0
  Se  Se24  1  0.270  0.872  0.815  1.0
  Se  Se25  1  0.270  0.876  0.316  1.0
  Se  Se26  1  0.633  0.269  0.938  1.0
  Se  Se27  1  0.631  0.266  0.437  1.0
[/CIF]
.