The material described by In(MoSe)3 crystallizes in the hexagonal P6_3/m space group. Mo(1) is bonded in a distorted see-saw-like geometry to six equivalent Mo(1) and four equivalent Se(1) atoms. In(1) is bonded in a trigonal planar geometry to three equivalent Se(1) atoms. Se(1) is bonded in a 5-coordinate geometry to four equivalent Mo(1) and one In(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_In(MoSe)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.208
_cell_length_b   9.208
_cell_length_c   4.513
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   331.386
_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
  In  In0  1  0.667  0.333  0.750  1.0
  In  In1  1  0.333  0.667  0.250  1.0
  Mo  Mo2  1  0.175  0.157  0.750  1.0
  Mo  Mo3  1  0.843  0.017  0.750  1.0
  Mo  Mo4  1  0.983  0.825  0.750  1.0
  Mo  Mo5  1  0.825  0.843  0.250  1.0
  Mo  Mo6  1  0.157  0.983  0.250  1.0
  Mo  Mo7  1  0.017  0.175  0.250  1.0
  Se  Se8  1  0.314  0.966  0.750  1.0
  Se  Se9  1  0.034  0.349  0.750  1.0
  Se  Se10  1  0.651  0.686  0.750  1.0
  Se  Se11  1  0.686  0.034  0.250  1.0
  Se  Se12  1  0.966  0.651  0.250  1.0
  Se  Se13  1  0.349  0.314  0.250  1.0
[/CIF]
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The material described by In(MoSe)3 crystallizes in the hexagonal P6_3/m space group. Mo(1) is bonded in a distorted see-saw-like geometry to six equivalent Mo(1) and four equivalent Se(1) atoms. In(1) is bonded in a trigonal planar geometry to three equivalent Se(1) atoms. Se(1) is bonded in a 5-coordinate geometry to four equivalent Mo(1) and one In(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_In(MoSe)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.208
_cell_length_b   9.208
_cell_length_c   4.513
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   331.386
_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
  In  In0  1  0.667  0.333  0.750  1.0
  In  In1  1  0.333  0.667  0.250  1.0
  Mo  Mo2  1  0.175  0.157  0.750  1.0
  Mo  Mo3  1  0.843  0.017  0.750  1.0
  Mo  Mo4  1  0.983  0.825  0.750  1.0
  Mo  Mo5  1  0.825  0.843  0.250  1.0
  Mo  Mo6  1  0.157  0.983  0.250  1.0
  Mo  Mo7  1  0.017  0.175  0.250  1.0
  Se  Se8  1  0.314  0.966  0.750  1.0
  Se  Se9  1  0.034  0.349  0.750  1.0
  Se  Se10  1  0.651  0.686  0.750  1.0
  Se  Se11  1  0.686  0.034  0.250  1.0
  Se  Se12  1  0.966  0.651  0.250  1.0
  Se  Se13  1  0.349  0.314  0.250  1.0
[/CIF]
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