The material described by Mo9Se11 crystallizes in the hexagonal P6_3/m space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 5-coordinate geometry to one Se(1), one Se(3), and three equivalent Se(2) atoms. In the second Mo site, Mo(2) is bonded in a distorted see-saw-like geometry to two equivalent Se(2) and two equivalent Se(3) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. In the second Se site, Se(2) is bonded in a 4-coordinate geometry to one Mo(2) and three equivalent Mo(1) atoms. In the third Se site, Se(3) is bonded in a 4-coordinate geometry to two equivalent Mo(1) and two equivalent Mo(2) atoms. is represented by the CIF card [CIF]
data_Mo9Se11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.547
_cell_length_b   9.547
_cell_length_c   12.291
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   970.111
_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
  Mo  Mo0  1  0.839  0.356  0.439  1.0
  Mo  Mo1  1  0.681  0.179  0.250  1.0
  Mo  Mo2  1  0.644  0.483  0.061  1.0
  Mo  Mo3  1  0.517  0.161  0.439  1.0
  Mo  Mo4  1  0.483  0.839  0.561  1.0
  Mo  Mo5  1  0.644  0.483  0.439  1.0
  Mo  Mo6  1  0.356  0.517  0.939  1.0
  Mo  Mo7  1  0.821  0.502  0.250  1.0
  Mo  Mo8  1  0.161  0.644  0.939  1.0
  Mo  Mo9  1  0.161  0.644  0.561  1.0
  Mo  Mo10  1  0.179  0.498  0.750  1.0
  Mo  Mo11  1  0.839  0.356  0.061  1.0
  Mo  Mo12  1  0.498  0.319  0.250  1.0
  Mo  Mo13  1  0.356  0.517  0.561  1.0
  Mo  Mo14  1  0.483  0.839  0.939  1.0
  Mo  Mo15  1  0.502  0.681  0.750  1.0
  Mo  Mo16  1  0.319  0.821  0.750  1.0
  Mo  Mo17  1  0.517  0.161  0.061  1.0
  Se  Se18  1  0.667  0.333  0.602  1.0
  Se  Se19  1  0.333  0.667  0.398  1.0
  Se  Se20  1  0.707  0.040  0.422  1.0
  Se  Se21  1  0.630  0.994  0.750  1.0
  Se  Se22  1  0.667  0.707  0.922  1.0
  Se  Se23  1  0.293  0.960  0.922  1.0
  Se  Se24  1  0.707  0.040  0.078  1.0
  Se  Se25  1  0.040  0.333  0.578  1.0
  Se  Se26  1  0.040  0.333  0.922  1.0
  Se  Se27  1  0.636  0.630  0.250  1.0
  Se  Se28  1  0.364  0.370  0.750  1.0
  Se  Se29  1  0.370  0.006  0.250  1.0
  Se  Se30  1  0.333  0.293  0.078  1.0
  Se  Se31  1  0.333  0.293  0.422  1.0
  Se  Se32  1  0.293  0.960  0.578  1.0
  Se  Se33  1  0.994  0.364  0.250  1.0
  Se  Se34  1  0.333  0.667  0.102  1.0
  Se  Se35  1  0.960  0.667  0.078  1.0
  Se  Se36  1  0.960  0.667  0.422  1.0
  Se  Se37  1  0.667  0.707  0.578  1.0
  Se  Se38  1  0.006  0.636  0.750  1.0
  Se  Se39  1  0.667  0.333  0.898  1.0
[/CIF]
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The material described by Mo9Se11 crystallizes in the hexagonal P6_3/m space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 5-coordinate geometry to one Se(1), one Se(3), and three equivalent Se(2) atoms. In the second Mo site, Mo(2) is bonded in a distorted see-saw-like geometry to two equivalent Se(2) and two equivalent Se(3) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. In the second Se site, Se(2) is bonded in a 4-coordinate geometry to one Mo(2) and three equivalent Mo(1) atoms. In the third Se site, Se(3) is bonded in a 4-coordinate geometry to two equivalent Mo(1) and two equivalent Mo(2) atoms. is represented by the CIF card [CIF]
data_Mo9Se11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.547
_cell_length_b   9.547
_cell_length_c   12.291
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   970.111
_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
  Mo  Mo0  1  0.839  0.356  0.439  1.0
  Mo  Mo1  1  0.681  0.179  0.250  1.0
  Mo  Mo2  1  0.644  0.483  0.061  1.0
  Mo  Mo3  1  0.517  0.161  0.439  1.0
  Mo  Mo4  1  0.483  0.839  0.561  1.0
  Mo  Mo5  1  0.644  0.483  0.439  1.0
  Mo  Mo6  1  0.356  0.517  0.939  1.0
  Mo  Mo7  1  0.821  0.502  0.250  1.0
  Mo  Mo8  1  0.161  0.644  0.939  1.0
  Mo  Mo9  1  0.161  0.644  0.561  1.0
  Mo  Mo10  1  0.179  0.498  0.750  1.0
  Mo  Mo11  1  0.839  0.356  0.061  1.0
  Mo  Mo12  1  0.498  0.319  0.250  1.0
  Mo  Mo13  1  0.356  0.517  0.561  1.0
  Mo  Mo14  1  0.483  0.839  0.939  1.0
  Mo  Mo15  1  0.502  0.681  0.750  1.0
  Mo  Mo16  1  0.319  0.821  0.750  1.0
  Mo  Mo17  1  0.517  0.161  0.061  1.0
  Se  Se18  1  0.667  0.333  0.602  1.0
  Se  Se19  1  0.333  0.667  0.398  1.0
  Se  Se20  1  0.707  0.040  0.422  1.0
  Se  Se21  1  0.630  0.994  0.750  1.0
  Se  Se22  1  0.667  0.707  0.922  1.0
  Se  Se23  1  0.293  0.960  0.922  1.0
  Se  Se24  1  0.707  0.040  0.078  1.0
  Se  Se25  1  0.040  0.333  0.578  1.0
  Se  Se26  1  0.040  0.333  0.922  1.0
  Se  Se27  1  0.636  0.630  0.250  1.0
  Se  Se28  1  0.364  0.370  0.750  1.0
  Se  Se29  1  0.370  0.006  0.250  1.0
  Se  Se30  1  0.333  0.293  0.078  1.0
  Se  Se31  1  0.333  0.293  0.422  1.0
  Se  Se32  1  0.293  0.960  0.578  1.0
  Se  Se33  1  0.994  0.364  0.250  1.0
  Se  Se34  1  0.333  0.667  0.102  1.0
  Se  Se35  1  0.960  0.667  0.078  1.0
  Se  Se36  1  0.960  0.667  0.422  1.0
  Se  Se37  1  0.667  0.707  0.578  1.0
  Se  Se38  1  0.006  0.636  0.750  1.0
  Se  Se39  1  0.667  0.333  0.898  1.0
[/CIF]
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