The material structure described by Y3Ir is Cementite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Ir(1) atoms. In the second Y site, Y(2) is bonded in a 3-coordinate geometry to three equivalent Ir(1) atoms. Ir(1) is bonded in a 8-coordinate geometry to two equivalent Y(1) and six equivalent Y(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.458
_cell_length_b   7.261
_cell_length_c   9.285
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   435.407
_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
  Y  Y0  1  0.631  0.038  0.250  1.0
  Y  Y1  1  0.369  0.962  0.750  1.0
  Y  Y2  1  0.131  0.462  0.750  1.0
  Y  Y3  1  0.869  0.538  0.250  1.0
  Y  Y4  1  0.177  0.174  0.065  1.0
  Y  Y5  1  0.823  0.826  0.935  1.0
  Y  Y6  1  0.677  0.326  0.935  1.0
  Y  Y7  1  0.823  0.826  0.565  1.0
  Y  Y8  1  0.323  0.674  0.065  1.0
  Y  Y9  1  0.177  0.174  0.435  1.0
  Y  Y10  1  0.323  0.674  0.435  1.0
  Y  Y11  1  0.677  0.326  0.565  1.0
  Ir  Ir12  1  0.461  0.385  0.250  1.0
  Ir  Ir13  1  0.539  0.615  0.750  1.0
  Ir  Ir14  1  0.961  0.115  0.750  1.0
  Ir  Ir15  1  0.039  0.885  0.250  1.0
[/CIF]
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The material structure described by Y3Ir is Cementite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Ir(1) atoms. In the second Y site, Y(2) is bonded in a 3-coordinate geometry to three equivalent Ir(1) atoms. Ir(1) is bonded in a 8-coordinate geometry to two equivalent Y(1) and six equivalent Y(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.458
_cell_length_b   7.261
_cell_length_c   9.285
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   435.407
_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
  Y  Y0  1  0.631  0.038  0.250  1.0
  Y  Y1  1  0.369  0.962  0.750  1.0
  Y  Y2  1  0.131  0.462  0.750  1.0
  Y  Y3  1  0.869  0.538  0.250  1.0
  Y  Y4  1  0.177  0.174  0.065  1.0
  Y  Y5  1  0.823  0.826  0.935  1.0
  Y  Y6  1  0.677  0.326  0.935  1.0
  Y  Y7  1  0.823  0.826  0.565  1.0
  Y  Y8  1  0.323  0.674  0.065  1.0
  Y  Y9  1  0.177  0.174  0.435  1.0
  Y  Y10  1  0.323  0.674  0.435  1.0
  Y  Y11  1  0.677  0.326  0.565  1.0
  Ir  Ir12  1  0.461  0.385  0.250  1.0
  Ir  Ir13  1  0.539  0.615  0.750  1.0
  Ir  Ir14  1  0.961  0.115  0.750  1.0
  Ir  Ir15  1  0.039  0.885  0.250  1.0
[/CIF]
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