The crystal structure described by Er7(IrTe)2 crystallizes in the orthorhombic Imm2 space group. There are four inequivalent Er sites. In the first Er site, Er(1) is bonded in a 5-coordinate geometry to two equivalent Ir(1), one Te(2), and two equivalent Te(1) atoms. In the second Er site, Er(2) is bonded in a 4-coordinate geometry to three equivalent Ir(1) and one Te(1) atom. In the third Er site, Er(3) is bonded in a 4-coordinate geometry to two equivalent Ir(1) and two equivalent Te(2) atoms. In the fourth Er site, Er(4) is bonded in a 3-coordinate geometry to one Te(2) and two equivalent Te(1) atoms. Ir(1) is bonded in a 7-coordinate geometry to two equivalent Er(1), two equivalent Er(3), and three equivalent Er(2) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 8-coordinate geometry to two equivalent Er(2), two equivalent Er(4), and four equivalent Er(1) atoms. In the second Te site, Te(2) is bonded in a 7-coordinate geometry to one Er(4), two equivalent Er(1), and four equivalent Er(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er7(TeIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.345
_cell_length_b   9.345
_cell_length_c   9.345
_cell_angle_alpha   155.765
_cell_angle_beta   119.357
_cell_angle_gamma   66.290
_symmetry_Int_Tables_number   1
_cell_volume   289.648
_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
  Er  Er0  1  0.547  0.132  0.415  1.0
  Er  Er1  1  0.283  0.868  0.415  1.0
  Er  Er2  1  0.940  0.315  0.625  1.0
  Er  Er3  1  0.309  0.685  0.625  1.0
  Er  Er4  1  0.621  0.354  0.267  1.0
  Er  Er5  1  0.914  0.646  0.267  1.0
  Er  Er6  1  1.000  0.000  1.000  1.0
  Te  Te7  1  0.264  0.500  0.764  1.0
  Te  Te8  1  0.662  0.000  0.662  1.0
  Ir  Ir9  1  0.164  0.238  0.926  1.0
  Ir  Ir10  1  0.688  0.762  0.926  1.0
[/CIF]
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The crystal structure described by Er7(IrTe)2 crystallizes in the orthorhombic Imm2 space group. There are four inequivalent Er sites. In the first Er site, Er(1) is bonded in a 5-coordinate geometry to two equivalent Ir(1), one Te(2), and two equivalent Te(1) atoms. In the second Er site, Er(2) is bonded in a 4-coordinate geometry to three equivalent Ir(1) and one Te(1) atom. In the third Er site, Er(3) is bonded in a 4-coordinate geometry to two equivalent Ir(1) and two equivalent Te(2) atoms. In the fourth Er site, Er(4) is bonded in a 3-coordinate geometry to one Te(2) and two equivalent Te(1) atoms. Ir(1) is bonded in a 7-coordinate geometry to two equivalent Er(1), two equivalent Er(3), and three equivalent Er(2) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 8-coordinate geometry to two equivalent Er(2), two equivalent Er(4), and four equivalent Er(1) atoms. In the second Te site, Te(2) is bonded in a 7-coordinate geometry to one Er(4), two equivalent Er(1), and four equivalent Er(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er7(TeIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.345
_cell_length_b   9.345
_cell_length_c   9.345
_cell_angle_alpha   155.765
_cell_angle_beta   119.357
_cell_angle_gamma   66.290
_symmetry_Int_Tables_number   1
_cell_volume   289.648
_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
  Er  Er0  1  0.547  0.132  0.415  1.0
  Er  Er1  1  0.283  0.868  0.415  1.0
  Er  Er2  1  0.940  0.315  0.625  1.0
  Er  Er3  1  0.309  0.685  0.625  1.0
  Er  Er4  1  0.621  0.354  0.267  1.0
  Er  Er5  1  0.914  0.646  0.267  1.0
  Er  Er6  1  1.000  0.000  1.000  1.0
  Te  Te7  1  0.264  0.500  0.764  1.0
  Te  Te8  1  0.662  0.000  0.662  1.0
  Ir  Ir9  1  0.164  0.238  0.926  1.0
  Ir  Ir10  1  0.688  0.762  0.926  1.0
[/CIF]
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