The crystal structure described by CsAlTe3 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 11-coordinate geometry to one Al(1), three equivalent Te(1), three equivalent Te(2), and four equivalent Te(3) atoms. Al(1) is bonded to one Cs(1), one Te(1), one Te(3), and two equivalent Te(2) atoms to form corner-sharing AlCsTe4 tetrahedra. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Al(1) atom. In the second Te site, Te(2) is bonded in a distorted L-shaped geometry to three equivalent Cs(1) and two equivalent Al(1) atoms. In the third Te site, Te(3) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one Al(1) atom. is represented by the CIF card [CIF]
data_CsAlTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.127
_cell_length_b   7.282
_cell_length_c   8.297
_cell_angle_alpha   76.081
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   828.440
_cell_formula_units_Z   4
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  0.580  0.789  0.745  1.0
  Cs  Cs1  1  0.080  0.711  0.255  1.0
  Cs  Cs2  1  0.420  0.211  0.255  1.0
  Cs  Cs3  1  0.920  0.289  0.745  1.0
  Al  Al4  1  0.727  0.847  0.178  1.0
  Al  Al5  1  0.227  0.653  0.822  1.0
  Al  Al6  1  0.273  0.153  0.822  1.0
  Al  Al7  1  0.773  0.347  0.178  1.0
  Te  Te8  1  0.679  0.353  0.452  1.0
  Te  Te9  1  0.179  0.147  0.548  1.0
  Te  Te10  1  0.321  0.647  0.548  1.0
  Te  Te11  1  0.821  0.853  0.452  1.0
  Te  Te12  1  0.829  0.673  0.996  1.0
  Te  Te13  1  0.329  0.827  0.004  1.0
  Te  Te14  1  0.171  0.327  0.004  1.0
  Te  Te15  1  0.671  0.173  0.996  1.0
  Te  Te16  1  0.572  0.657  0.281  1.0
  Te  Te17  1  0.072  0.843  0.719  1.0
  Te  Te18  1  0.428  0.343  0.719  1.0
  Te  Te19  1  0.928  0.157  0.281  1.0
[/CIF]
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The crystal structure described by CsAlTe3 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 11-coordinate geometry to one Al(1), three equivalent Te(1), three equivalent Te(2), and four equivalent Te(3) atoms. Al(1) is bonded to one Cs(1), one Te(1), one Te(3), and two equivalent Te(2) atoms to form corner-sharing AlCsTe4 tetrahedra. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Al(1) atom. In the second Te site, Te(2) is bonded in a distorted L-shaped geometry to three equivalent Cs(1) and two equivalent Al(1) atoms. In the third Te site, Te(3) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one Al(1) atom. is represented by the CIF card [CIF]
data_CsAlTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.127
_cell_length_b   7.282
_cell_length_c   8.297
_cell_angle_alpha   76.081
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   828.440
_cell_formula_units_Z   4
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  0.580  0.789  0.745  1.0
  Cs  Cs1  1  0.080  0.711  0.255  1.0
  Cs  Cs2  1  0.420  0.211  0.255  1.0
  Cs  Cs3  1  0.920  0.289  0.745  1.0
  Al  Al4  1  0.727  0.847  0.178  1.0
  Al  Al5  1  0.227  0.653  0.822  1.0
  Al  Al6  1  0.273  0.153  0.822  1.0
  Al  Al7  1  0.773  0.347  0.178  1.0
  Te  Te8  1  0.679  0.353  0.452  1.0
  Te  Te9  1  0.179  0.147  0.548  1.0
  Te  Te10  1  0.321  0.647  0.548  1.0
  Te  Te11  1  0.821  0.853  0.452  1.0
  Te  Te12  1  0.829  0.673  0.996  1.0
  Te  Te13  1  0.329  0.827  0.004  1.0
  Te  Te14  1  0.171  0.327  0.004  1.0
  Te  Te15  1  0.671  0.173  0.996  1.0
  Te  Te16  1  0.572  0.657  0.281  1.0
  Te  Te17  1  0.072  0.843  0.719  1.0
  Te  Te18  1  0.428  0.343  0.719  1.0
  Te  Te19  1  0.928  0.157  0.281  1.0
[/CIF]
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