The compound described by Cs(MoTe)3 crystallizes in the monoclinic P2_1/m space group. Cs(1) is bonded in a 9-coordinate geometry to three equivalent Te(1), three equivalent Te(2), and three equivalent Te(3) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 10-coordinate geometry to three equivalent Mo(2), three equivalent Mo(3), one Te(1), one Te(2), and two equivalent Te(3) atoms. In the second Mo site, Mo(2) is bonded in a 10-coordinate geometry to three equivalent Mo(1), three equivalent Mo(3), one Te(2), one Te(3), and two equivalent Te(1) atoms. In the third Mo site, Mo(3) is bonded in a 10-coordinate geometry to three equivalent Mo(1), three equivalent Mo(2), one Te(1), one Te(3), and two equivalent Te(2) atoms. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 7-coordinate geometry to three equivalent Cs(1), one Mo(1), one Mo(3), and two equivalent Mo(2) atoms. In the second Te site, Te(2) is bonded in a 7-coordinate geometry to three equivalent Cs(1), one Mo(1), one Mo(2), and two equivalent Mo(3) atoms. In the third Te site, Te(3) is bonded in a 7-coordinate geometry to three equivalent Cs(1), one Mo(2), one Mo(3), and two equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs(TeMo)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.631
_cell_length_b   10.752
_cell_length_c   10.754
_cell_angle_alpha   120.052
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   463.492
_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  0.750  0.667  0.334  1.0
  Cs  Cs1  1  0.250  0.333  0.666  1.0
  Te  Te2  1  0.750  0.693  0.698  1.0
  Te  Te3  1  0.750  0.302  0.996  1.0
  Te  Te4  1  0.750  0.005  0.307  1.0
  Te  Te5  1  0.250  0.307  0.302  1.0
  Te  Te6  1  0.250  0.698  0.004  1.0
  Te  Te7  1  0.250  0.995  0.693  1.0
  Mo  Mo8  1  0.750  0.998  0.856  1.0
  Mo  Mo9  1  0.750  0.144  0.143  1.0
  Mo  Mo10  1  0.750  0.857  0.001  1.0
  Mo  Mo11  1  0.250  0.002  0.144  1.0
  Mo  Mo12  1  0.250  0.856  0.857  1.0
  Mo  Mo13  1  0.250  0.143  0.999  1.0
[/CIF]
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The compound described by Cs(MoTe)3 crystallizes in the monoclinic P2_1/m space group. Cs(1) is bonded in a 9-coordinate geometry to three equivalent Te(1), three equivalent Te(2), and three equivalent Te(3) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 10-coordinate geometry to three equivalent Mo(2), three equivalent Mo(3), one Te(1), one Te(2), and two equivalent Te(3) atoms. In the second Mo site, Mo(2) is bonded in a 10-coordinate geometry to three equivalent Mo(1), three equivalent Mo(3), one Te(2), one Te(3), and two equivalent Te(1) atoms. In the third Mo site, Mo(3) is bonded in a 10-coordinate geometry to three equivalent Mo(1), three equivalent Mo(2), one Te(1), one Te(3), and two equivalent Te(2) atoms. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 7-coordinate geometry to three equivalent Cs(1), one Mo(1), one Mo(3), and two equivalent Mo(2) atoms. In the second Te site, Te(2) is bonded in a 7-coordinate geometry to three equivalent Cs(1), one Mo(1), one Mo(2), and two equivalent Mo(3) atoms. In the third Te site, Te(3) is bonded in a 7-coordinate geometry to three equivalent Cs(1), one Mo(2), one Mo(3), and two equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs(TeMo)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.631
_cell_length_b   10.752
_cell_length_c   10.754
_cell_angle_alpha   120.052
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   463.492
_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  0.750  0.667  0.334  1.0
  Cs  Cs1  1  0.250  0.333  0.666  1.0
  Te  Te2  1  0.750  0.693  0.698  1.0
  Te  Te3  1  0.750  0.302  0.996  1.0
  Te  Te4  1  0.750  0.005  0.307  1.0
  Te  Te5  1  0.250  0.307  0.302  1.0
  Te  Te6  1  0.250  0.698  0.004  1.0
  Te  Te7  1  0.250  0.995  0.693  1.0
  Mo  Mo8  1  0.750  0.998  0.856  1.0
  Mo  Mo9  1  0.750  0.144  0.143  1.0
  Mo  Mo10  1  0.750  0.857  0.001  1.0
  Mo  Mo11  1  0.250  0.002  0.144  1.0
  Mo  Mo12  1  0.250  0.856  0.857  1.0
  Mo  Mo13  1  0.250  0.143  0.999  1.0
[/CIF]
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