The material described by MoMoAlSe2(MoAlSe)2(Se)4 is Cyanogen Chloride-like structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is zero-dimensional and consists of two 7439-98-7 atoms, four diselenium molecules, four MoAlSe clusters, and two MoAlSe2 clusters. In each MoAlSe cluster, Mo(3,4) is bonded in a single-bond geometry to one Al(2,3) atom. Al(2,3) is bonded in a linear geometry to one Mo(3,4) and one Se(5,7) atom. Se(5,7) is bonded in a single-bond geometry to one Al(2,3) atom. In each MoAlSe2 cluster, Mo(2) is bonded in a single-bond geometry to one Al(1) atom. Al(1) is bonded in a linear geometry to one Mo(2) and one Se(1) atom. There are two inequivalent Se sites. In the first Se site, Se(2) is bonded in a single-bond geometry to one Se(1) atom. In the second Se site, Se(1) is bonded in a distorted linear geometry to one Al(1) and one Se(2) atom. is represented by the CIF card [CIF]
data_Al3(MoSe2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.731
_cell_length_b   27.342
_cell_length_c   24.548
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.144
_symmetry_Int_Tables_number   1
_cell_volume   7969.512
_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
  Al  Al0  1  0.333  0.833  0.980  1.0
  Al  Al1  1  0.333  0.333  0.770  1.0
  Al  Al2  1  0.667  0.667  0.211  1.0
  Al  Al3  1  0.666  0.666  0.540  1.0
  Al  Al4  1  0.666  0.166  0.210  1.0
  Al  Al5  1  0.667  0.167  0.539  1.0
  Mo  Mo6  1  0.333  0.833  0.372  1.0
  Mo  Mo7  1  0.333  0.833  0.872  1.0
  Mo  Mo8  1  0.333  0.333  0.378  1.0
  Mo  Mo9  1  0.333  0.333  0.878  1.0
  Mo  Mo10  1  0.667  0.667  0.104  1.0
  Mo  Mo11  1  0.666  0.666  0.646  1.0
  Mo  Mo12  1  0.666  0.166  0.104  1.0
  Mo  Mo13  1  0.667  0.167  0.646  1.0
  Se  Se14  1  0.333  0.833  0.074  1.0
  Se  Se15  1  0.333  0.833  0.170  1.0
  Se  Se16  1  0.333  0.833  0.671  1.0
  Se  Se17  1  0.333  0.833  0.581  1.0
  Se  Se18  1  0.667  0.667  0.451  1.0
  Se  Se19  1  0.667  0.667  0.920  1.0
  Se  Se20  1  0.333  0.333  0.079  1.0
  Se  Se21  1  0.333  0.333  0.580  1.0
  Se  Se22  1  0.666  0.666  0.299  1.0
  Se  Se23  1  0.667  0.667  0.830  1.0
  Se  Se24  1  0.333  0.333  0.676  1.0
  Se  Se25  1  0.333  0.333  0.169  1.0
  Se  Se26  1  0.667  0.167  0.920  1.0
  Se  Se27  1  0.667  0.167  0.299  1.0
  Se  Se28  1  0.666  0.166  0.451  1.0
  Se  Se29  1  0.667  0.167  0.830  1.0
[/CIF]
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The material described by MoMoAlSe2(MoAlSe)2(Se)4 is Cyanogen Chloride-like structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is zero-dimensional and consists of two 7439-98-7 atoms, four diselenium molecules, four MoAlSe clusters, and two MoAlSe2 clusters. In each MoAlSe cluster, Mo(3,4) is bonded in a single-bond geometry to one Al(2,3) atom. Al(2,3) is bonded in a linear geometry to one Mo(3,4) and one Se(5,7) atom. Se(5,7) is bonded in a single-bond geometry to one Al(2,3) atom. In each MoAlSe2 cluster, Mo(2) is bonded in a single-bond geometry to one Al(1) atom. Al(1) is bonded in a linear geometry to one Mo(2) and one Se(1) atom. There are two inequivalent Se sites. In the first Se site, Se(2) is bonded in a single-bond geometry to one Se(1) atom. In the second Se site, Se(1) is bonded in a distorted linear geometry to one Al(1) and one Se(2) atom. is represented by the CIF card [CIF]
data_Al3(MoSe2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.731
_cell_length_b   27.342
_cell_length_c   24.548
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.144
_symmetry_Int_Tables_number   1
_cell_volume   7969.512
_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
  Al  Al0  1  0.333  0.833  0.980  1.0
  Al  Al1  1  0.333  0.333  0.770  1.0
  Al  Al2  1  0.667  0.667  0.211  1.0
  Al  Al3  1  0.666  0.666  0.540  1.0
  Al  Al4  1  0.666  0.166  0.210  1.0
  Al  Al5  1  0.667  0.167  0.539  1.0
  Mo  Mo6  1  0.333  0.833  0.372  1.0
  Mo  Mo7  1  0.333  0.833  0.872  1.0
  Mo  Mo8  1  0.333  0.333  0.378  1.0
  Mo  Mo9  1  0.333  0.333  0.878  1.0
  Mo  Mo10  1  0.667  0.667  0.104  1.0
  Mo  Mo11  1  0.666  0.666  0.646  1.0
  Mo  Mo12  1  0.666  0.166  0.104  1.0
  Mo  Mo13  1  0.667  0.167  0.646  1.0
  Se  Se14  1  0.333  0.833  0.074  1.0
  Se  Se15  1  0.333  0.833  0.170  1.0
  Se  Se16  1  0.333  0.833  0.671  1.0
  Se  Se17  1  0.333  0.833  0.581  1.0
  Se  Se18  1  0.667  0.667  0.451  1.0
  Se  Se19  1  0.667  0.667  0.920  1.0
  Se  Se20  1  0.333  0.333  0.079  1.0
  Se  Se21  1  0.333  0.333  0.580  1.0
  Se  Se22  1  0.666  0.666  0.299  1.0
  Se  Se23  1  0.667  0.667  0.830  1.0
  Se  Se24  1  0.333  0.333  0.676  1.0
  Se  Se25  1  0.333  0.333  0.169  1.0
  Se  Se26  1  0.667  0.167  0.920  1.0
  Se  Se27  1  0.667  0.167  0.299  1.0
  Se  Se28  1  0.666  0.166  0.451  1.0
  Se  Se29  1  0.667  0.167  0.830  1.0
[/CIF]
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