The material structure described by IrTa is Tetraauricupride-like structured and crystallizes in the orthorhombic Pmma space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 8-coordinate geometry to four equivalent Ir(1) and four equivalent Ir(2) atoms. In the second Ta site, Ta(2) is bonded in a 8-coordinate geometry to two equivalent Ir(1) and six equivalent Ir(2) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 8-coordinate geometry to four equivalent Ta(1) and four equivalent Ta(2) atoms. In the second Ir site, Ir(2) is bonded in a 8-coordinate geometry to two equivalent Ta(1) and six equivalent Ta(2) atoms. is represented by the CIF card [CIF]
data_TaIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.862
_cell_length_b   4.832
_cell_length_c   13.806
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   190.926
_cell_formula_units_Z   6
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
  Ta  Ta0  1  0.000  0.947  0.750  1.0
  Ta  Ta1  1  0.000  0.325  0.914  1.0
  Ta  Ta2  1  0.000  0.675  0.414  1.0
  Ta  Ta3  1  0.000  0.675  0.086  1.0
  Ta  Ta4  1  0.000  0.053  0.250  1.0
  Ta  Ta5  1  0.000  0.325  0.586  1.0
  Ir  Ir6  1  0.500  0.458  0.750  1.0
  Ir  Ir7  1  0.500  0.542  0.250  1.0
  Ir  Ir8  1  0.500  0.824  0.918  1.0
  Ir  Ir9  1  0.500  0.824  0.582  1.0
  Ir  Ir10  1  0.500  0.176  0.082  1.0
  Ir  Ir11  1  0.500  0.176  0.418  1.0
[/CIF]
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The material structure described by IrTa is Tetraauricupride-like structured and crystallizes in the orthorhombic Pmma space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 8-coordinate geometry to four equivalent Ir(1) and four equivalent Ir(2) atoms. In the second Ta site, Ta(2) is bonded in a 8-coordinate geometry to two equivalent Ir(1) and six equivalent Ir(2) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 8-coordinate geometry to four equivalent Ta(1) and four equivalent Ta(2) atoms. In the second Ir site, Ir(2) is bonded in a 8-coordinate geometry to two equivalent Ta(1) and six equivalent Ta(2) atoms. is represented by the CIF card [CIF]
data_TaIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.862
_cell_length_b   4.832
_cell_length_c   13.806
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   190.926
_cell_formula_units_Z   6
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
  Ta  Ta0  1  0.000  0.947  0.750  1.0
  Ta  Ta1  1  0.000  0.325  0.914  1.0
  Ta  Ta2  1  0.000  0.675  0.414  1.0
  Ta  Ta3  1  0.000  0.675  0.086  1.0
  Ta  Ta4  1  0.000  0.053  0.250  1.0
  Ta  Ta5  1  0.000  0.325  0.586  1.0
  Ir  Ir6  1  0.500  0.458  0.750  1.0
  Ir  Ir7  1  0.500  0.542  0.250  1.0
  Ir  Ir8  1  0.500  0.824  0.918  1.0
  Ir  Ir9  1  0.500  0.824  0.582  1.0
  Ir  Ir10  1  0.500  0.176  0.082  1.0
  Ir  Ir11  1  0.500  0.176  0.418  1.0
[/CIF]
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