The structure described by KIn(MoTe)6 crystallizes in the monoclinic Pm space group. K(1) is bonded in a 9-coordinate geometry to one Te(1), one Te(2), one Te(3), two equivalent Te(4), two equivalent Te(5), and two equivalent Te(6) atoms. There are six inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 10-coordinate geometry to one Mo(2), one Mo(3), two equivalent Mo(5), two equivalent Mo(6), one Te(1), one Te(2), and two equivalent Te(6) atoms. In the second Mo site, Mo(2) is bonded in a 10-coordinate geometry to one Mo(1), one Mo(3), two equivalent Mo(4), two equivalent Mo(6), one Te(2), one Te(3), and two equivalent Te(4) atoms. In the third Mo site, Mo(3) is bonded in a 10-coordinate geometry to one Mo(1), one Mo(2), two equivalent Mo(4), two equivalent Mo(5), one Te(1), one Te(3), and two equivalent Te(5) atoms. In the fourth Mo site, Mo(4) is bonded in a 10-coordinate geometry to one Mo(5), one Mo(6), two equivalent Mo(2), two equivalent Mo(3), one Te(4), one Te(5), and two equivalent Te(3) atoms. In the fifth Mo site, Mo(5) is bonded in a 10-coordinate geometry to one Mo(4), one Mo(6), two equivalent Mo(1), two equivalent Mo(3), one Te(5), one Te(6), and two equivalent Te(1) atoms. In the sixth Mo site, Mo(6) is bonded in a 10-coordinate geometry to one Mo(4), one Mo(5), two equivalent Mo(1), two equivalent Mo(2), one Te(4), one Te(6), and two equivalent Te(2) atoms. In(1) is bonded in a 1-coordinate geometry to one Te(5) atom. There are six inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to one K(1), one Mo(1), one Mo(3), and two equivalent Mo(5) atoms. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to one K(1), one Mo(1), one Mo(2), and two equivalent Mo(6) atoms. In the third Te site, Te(3) is bonded in a 5-coordinate geometry to one K(1), one Mo(2), one Mo(3), and two equivalent Mo(4) atoms. In the fourth Te site, Te(4) is bonded in a 6-coordinate geometry to two equivalent K(1), one Mo(4), one Mo(6), and two equivalent Mo(2) atoms. In the fifth Te site, Te(5) is bonded in a 7-coordinate geometry to two equivalent K(1), one Mo(4), one Mo(5), two equivalent Mo(3), and one In(1) atom. In the sixth Te site, Te(6) is bonded in a 6-coordinate geometry to two equivalent K(1), one Mo(5), one Mo(6), and two equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_KIn(TeMo)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.624
_cell_length_b   9.826
_cell_length_c   9.830
_cell_angle_alpha   119.509
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   388.637
_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
  K  K0  1  0.750  0.663  0.333  1.0
  In  In1  1  0.250  0.343  0.679  1.0
  Te  Te2  1  0.750  0.646  0.693  1.0
  Te  Te3  1  0.750  0.308  0.951  1.0
  Te  Te4  1  0.750  0.043  0.351  1.0
  Te  Te5  1  0.250  0.349  0.312  1.0
  Te  Te6  1  0.250  0.685  0.037  1.0
  Te  Te7  1  0.250  0.965  0.649  1.0
  Mo  Mo8  1  0.750  0.982  0.834  1.0
  Mo  Mo9  1  0.750  0.165  0.144  1.0
  Mo  Mo10  1  0.750  0.853  0.019  1.0
  Mo  Mo11  1  0.250  0.018  0.164  1.0
  Mo  Mo12  1  0.250  0.835  0.854  1.0
  Mo  Mo13  1  0.250  0.147  0.980  1.0
[/CIF]
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The structure described by KIn(MoTe)6 crystallizes in the monoclinic Pm space group. K(1) is bonded in a 9-coordinate geometry to one Te(1), one Te(2), one Te(3), two equivalent Te(4), two equivalent Te(5), and two equivalent Te(6) atoms. There are six inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 10-coordinate geometry to one Mo(2), one Mo(3), two equivalent Mo(5), two equivalent Mo(6), one Te(1), one Te(2), and two equivalent Te(6) atoms. In the second Mo site, Mo(2) is bonded in a 10-coordinate geometry to one Mo(1), one Mo(3), two equivalent Mo(4), two equivalent Mo(6), one Te(2), one Te(3), and two equivalent Te(4) atoms. In the third Mo site, Mo(3) is bonded in a 10-coordinate geometry to one Mo(1), one Mo(2), two equivalent Mo(4), two equivalent Mo(5), one Te(1), one Te(3), and two equivalent Te(5) atoms. In the fourth Mo site, Mo(4) is bonded in a 10-coordinate geometry to one Mo(5), one Mo(6), two equivalent Mo(2), two equivalent Mo(3), one Te(4), one Te(5), and two equivalent Te(3) atoms. In the fifth Mo site, Mo(5) is bonded in a 10-coordinate geometry to one Mo(4), one Mo(6), two equivalent Mo(1), two equivalent Mo(3), one Te(5), one Te(6), and two equivalent Te(1) atoms. In the sixth Mo site, Mo(6) is bonded in a 10-coordinate geometry to one Mo(4), one Mo(5), two equivalent Mo(1), two equivalent Mo(2), one Te(4), one Te(6), and two equivalent Te(2) atoms. In(1) is bonded in a 1-coordinate geometry to one Te(5) atom. There are six inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to one K(1), one Mo(1), one Mo(3), and two equivalent Mo(5) atoms. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to one K(1), one Mo(1), one Mo(2), and two equivalent Mo(6) atoms. In the third Te site, Te(3) is bonded in a 5-coordinate geometry to one K(1), one Mo(2), one Mo(3), and two equivalent Mo(4) atoms. In the fourth Te site, Te(4) is bonded in a 6-coordinate geometry to two equivalent K(1), one Mo(4), one Mo(6), and two equivalent Mo(2) atoms. In the fifth Te site, Te(5) is bonded in a 7-coordinate geometry to two equivalent K(1), one Mo(4), one Mo(5), two equivalent Mo(3), and one In(1) atom. In the sixth Te site, Te(6) is bonded in a 6-coordinate geometry to two equivalent K(1), one Mo(5), one Mo(6), and two equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_KIn(TeMo)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.624
_cell_length_b   9.826
_cell_length_c   9.830
_cell_angle_alpha   119.509
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   388.637
_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
  K  K0  1  0.750  0.663  0.333  1.0
  In  In1  1  0.250  0.343  0.679  1.0
  Te  Te2  1  0.750  0.646  0.693  1.0
  Te  Te3  1  0.750  0.308  0.951  1.0
  Te  Te4  1  0.750  0.043  0.351  1.0
  Te  Te5  1  0.250  0.349  0.312  1.0
  Te  Te6  1  0.250  0.685  0.037  1.0
  Te  Te7  1  0.250  0.965  0.649  1.0
  Mo  Mo8  1  0.750  0.982  0.834  1.0
  Mo  Mo9  1  0.750  0.165  0.144  1.0
  Mo  Mo10  1  0.750  0.853  0.019  1.0
  Mo  Mo11  1  0.250  0.018  0.164  1.0
  Mo  Mo12  1  0.250  0.835  0.854  1.0
  Mo  Mo13  1  0.250  0.147  0.980  1.0
[/CIF]
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