The crystal structure described by As5Te7I crystallizes in the triclinic P1 space group. There are five inequivalent As sites. In the first As site, As(1) is bonded to one As(5), one Te(2), one Te(3), one Te(6), and one I(1) atom to form AsTe3AsI square pyramids that share  a cornercorner with one As(5)Te4As square pyramid,  a cornercorner with one Te(2)Te2As3 square pyramid,  a cornercorner with one Te(4)TeAs3I square pyramid, and  an edgeedge with one Te(4)TeAs3I square pyramid. In the second As site, As(2) is bonded in a 3-coordinate geometry to one As(4), one Te(2), one Te(4), and one Te(5) atom. In the third As site, As(3) is bonded in a see-saw-like geometry to one Te(1), one Te(2), one Te(3), and one Te(5) atom. In the fourth As site, As(4) is bonded in a 3-coordinate geometry to one As(2), one Te(4), and one Te(6) atom. In the fifth As site, As(5) is bonded to one As(1), one Te(4), one Te(5), one Te(6), and one Te(7) atom to form AsTe4As square pyramids that share  a cornercorner with one As(1)Te3AsI square pyramid,  a cornercorner with one Te(2)Te2As3 square pyramid,  a cornercorner with one Te(3)Te3As2 square pyramid,  an edgeedge with one Te(2)Te2As3 square pyramid, and  an edgeedge with one Te(3)Te3As2 square pyramid. There are seven inequivalent Te sites. In the first Te site, Te(1) is bonded in a 1-coordinate geometry to one As(3), one Te(3), and one Te(7) atom. In the second Te site, Te(2) is bonded to one As(1), one As(2), one As(3), one Te(4), and one Te(6) atom to form distorted TeTe2As3 square pyramids that share  a cornercorner with one As(1)Te3AsI square pyramid,  a cornercorner with one As(5)Te4As square pyramid,  a cornercorner with one Te(4)TeAs3I square pyramid,  an edgeedge with one As(5)Te4As square pyramid, and  an edgeedge with one Te(3)Te3As2 square pyramid. In the third Te site, Te(3) is bonded to one As(1), one As(3), one Te(1), one Te(5), and one Te(7) atom to form distorted TeTe3As2 square pyramids that share  a cornercorner with one As(5)Te4As square pyramid,  an edgeedge with one As(5)Te4As square pyramid, and  an edgeedge with one Te(2)Te2As3 square pyramid. In the fourth Te site, Te(4) is bonded to one As(2), one As(4), one As(5), one Te(2), and one I(1) atom to form TeTeAs3I square pyramids that share  a cornercorner with one As(1)Te3AsI square pyramid,  a cornercorner with one Te(2)Te2As3 square pyramid, and  an edgeedge with one As(1)Te3AsI square pyramid. In the fifth Te site, Te(5) is bonded in a 5-coordinate geometry to one As(2), one As(3), one As(5), one Te(3), and one Te(6) atom. In the sixth Te site, Te(6) is bonded in a 3-coordinate geometry to one As(1), one As(4), one As(5), one Te(2), and one Te(5) atom. In the seventh Te site, Te(7) is bonded in a 4-coordinate geometry to one As(5), one Te(1), one Te(3), and one I(1) atom. I(1) is bonded in a 3-coordinate geometry to one As(1), one Te(4), and one Te(7) atom. is represented by the CIF file [CIF]
data_Te7As5I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.823
_cell_length_b   7.431
_cell_length_c   8.514
_cell_angle_alpha   105.004
_cell_angle_beta   101.531
_cell_angle_gamma   91.128
_symmetry_Int_Tables_number   1
_cell_volume   407.348
_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
  Te  Te0  1  0.646  0.151  0.448  1.0
  Te  Te1  1  0.369  0.157  0.948  1.0
  Te  Te2  1  0.079  0.225  0.332  1.0
  Te  Te3  1  0.165  0.442  0.806  1.0
  Te  Te4  1  0.860  0.515  0.200  1.0
  Te  Te5  1  0.614  0.831  0.064  1.0
  Te  Te6  1  0.317  0.926  0.483  1.0
  As  As7  1  0.016  0.971  0.028  1.0
  As  As8  1  0.771  0.337  0.872  1.0
  As  As9  1  0.450  0.369  0.271  1.0
  As  As10  1  0.565  0.573  0.772  1.0
  As  As11  1  0.221  0.724  0.145  1.0
  I  I12  1  0.927  0.778  0.633  1.0
[/CIF]
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The crystal structure described by As5Te7I crystallizes in the triclinic P1 space group. There are five inequivalent As sites. In the first As site, As(1) is bonded to one As(5), one Te(2), one Te(3), one Te(6), and one I(1) atom to form AsTe3AsI square pyramids that share  a cornercorner with one As(5)Te4As square pyramid,  a cornercorner with one Te(2)Te2As3 square pyramid,  a cornercorner with one Te(4)TeAs3I square pyramid, and  an edgeedge with one Te(4)TeAs3I square pyramid. In the second As site, As(2) is bonded in a 3-coordinate geometry to one As(4), one Te(2), one Te(4), and one Te(5) atom. In the third As site, As(3) is bonded in a see-saw-like geometry to one Te(1), one Te(2), one Te(3), and one Te(5) atom. In the fourth As site, As(4) is bonded in a 3-coordinate geometry to one As(2), one Te(4), and one Te(6) atom. In the fifth As site, As(5) is bonded to one As(1), one Te(4), one Te(5), one Te(6), and one Te(7) atom to form AsTe4As square pyramids that share  a cornercorner with one As(1)Te3AsI square pyramid,  a cornercorner with one Te(2)Te2As3 square pyramid,  a cornercorner with one Te(3)Te3As2 square pyramid,  an edgeedge with one Te(2)Te2As3 square pyramid, and  an edgeedge with one Te(3)Te3As2 square pyramid. There are seven inequivalent Te sites. In the first Te site, Te(1) is bonded in a 1-coordinate geometry to one As(3), one Te(3), and one Te(7) atom. In the second Te site, Te(2) is bonded to one As(1), one As(2), one As(3), one Te(4), and one Te(6) atom to form distorted TeTe2As3 square pyramids that share  a cornercorner with one As(1)Te3AsI square pyramid,  a cornercorner with one As(5)Te4As square pyramid,  a cornercorner with one Te(4)TeAs3I square pyramid,  an edgeedge with one As(5)Te4As square pyramid, and  an edgeedge with one Te(3)Te3As2 square pyramid. In the third Te site, Te(3) is bonded to one As(1), one As(3), one Te(1), one Te(5), and one Te(7) atom to form distorted TeTe3As2 square pyramids that share  a cornercorner with one As(5)Te4As square pyramid,  an edgeedge with one As(5)Te4As square pyramid, and  an edgeedge with one Te(2)Te2As3 square pyramid. In the fourth Te site, Te(4) is bonded to one As(2), one As(4), one As(5), one Te(2), and one I(1) atom to form TeTeAs3I square pyramids that share  a cornercorner with one As(1)Te3AsI square pyramid,  a cornercorner with one Te(2)Te2As3 square pyramid, and  an edgeedge with one As(1)Te3AsI square pyramid. In the fifth Te site, Te(5) is bonded in a 5-coordinate geometry to one As(2), one As(3), one As(5), one Te(3), and one Te(6) atom. In the sixth Te site, Te(6) is bonded in a 3-coordinate geometry to one As(1), one As(4), one As(5), one Te(2), and one Te(5) atom. In the seventh Te site, Te(7) is bonded in a 4-coordinate geometry to one As(5), one Te(1), one Te(3), and one I(1) atom. I(1) is bonded in a 3-coordinate geometry to one As(1), one Te(4), and one Te(7) atom. is represented by the CIF file [CIF]
data_Te7As5I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.823
_cell_length_b   7.431
_cell_length_c   8.514
_cell_angle_alpha   105.004
_cell_angle_beta   101.531
_cell_angle_gamma   91.128
_symmetry_Int_Tables_number   1
_cell_volume   407.348
_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
  Te  Te0  1  0.646  0.151  0.448  1.0
  Te  Te1  1  0.369  0.157  0.948  1.0
  Te  Te2  1  0.079  0.225  0.332  1.0
  Te  Te3  1  0.165  0.442  0.806  1.0
  Te  Te4  1  0.860  0.515  0.200  1.0
  Te  Te5  1  0.614  0.831  0.064  1.0
  Te  Te6  1  0.317  0.926  0.483  1.0
  As  As7  1  0.016  0.971  0.028  1.0
  As  As8  1  0.771  0.337  0.872  1.0
  As  As9  1  0.450  0.369  0.271  1.0
  As  As10  1  0.565  0.573  0.772  1.0
  As  As11  1  0.221  0.724  0.145  1.0
  I  I12  1  0.927  0.778  0.633  1.0
[/CIF]
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