The material structure described by Er3Ir is Cementite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 3-coordinate geometry to three equivalent Ir(1) atoms. In the second Er site, Er(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Ir(1) atoms. Ir(1) is bonded in a 8-coordinate geometry to two equivalent Er(2) and six equivalent Er(1) atoms. is represented by the CIF card [CIF]
data_Er3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.365
_cell_length_b   7.145
_cell_length_c   9.019
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   410.155
_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
  Er  Er0  1  0.323  0.676  0.062  1.0
  Er  Er1  1  0.177  0.176  0.438  1.0
  Er  Er2  1  0.677  0.324  0.562  1.0
  Er  Er3  1  0.823  0.824  0.938  1.0
  Er  Er4  1  0.677  0.324  0.938  1.0
  Er  Er5  1  0.823  0.824  0.562  1.0
  Er  Er6  1  0.323  0.676  0.438  1.0
  Er  Er7  1  0.177  0.176  0.062  1.0
  Er  Er8  1  0.876  0.536  0.250  1.0
  Er  Er9  1  0.624  0.036  0.250  1.0
  Er  Er10  1  0.124  0.464  0.750  1.0
  Er  Er11  1  0.376  0.964  0.750  1.0
  Ir  Ir12  1  0.036  0.888  0.250  1.0
  Ir  Ir13  1  0.464  0.388  0.250  1.0
  Ir  Ir14  1  0.964  0.112  0.750  1.0
  Ir  Ir15  1  0.536  0.612  0.750  1.0
[/CIF]
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The material structure described by Er3Ir is Cementite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 3-coordinate geometry to three equivalent Ir(1) atoms. In the second Er site, Er(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Ir(1) atoms. Ir(1) is bonded in a 8-coordinate geometry to two equivalent Er(2) and six equivalent Er(1) atoms. is represented by the CIF card [CIF]
data_Er3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.365
_cell_length_b   7.145
_cell_length_c   9.019
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   410.155
_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
  Er  Er0  1  0.323  0.676  0.062  1.0
  Er  Er1  1  0.177  0.176  0.438  1.0
  Er  Er2  1  0.677  0.324  0.562  1.0
  Er  Er3  1  0.823  0.824  0.938  1.0
  Er  Er4  1  0.677  0.324  0.938  1.0
  Er  Er5  1  0.823  0.824  0.562  1.0
  Er  Er6  1  0.323  0.676  0.438  1.0
  Er  Er7  1  0.177  0.176  0.062  1.0
  Er  Er8  1  0.876  0.536  0.250  1.0
  Er  Er9  1  0.624  0.036  0.250  1.0
  Er  Er10  1  0.124  0.464  0.750  1.0
  Er  Er11  1  0.376  0.964  0.750  1.0
  Ir  Ir12  1  0.036  0.888  0.250  1.0
  Ir  Ir13  1  0.464  0.388  0.250  1.0
  Ir  Ir14  1  0.964  0.112  0.750  1.0
  Ir  Ir15  1  0.536  0.612  0.750  1.0
[/CIF]
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