The compound described by IrSr2TbCu2O8 crystallizes in the orthorhombic Amm2 space group. Sr(1) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. Tb(1) is bonded in a body-centered cubic geometry to eight equivalent O(2) atoms. Ir(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form IrO6 octahedra that share corners with four equivalent Ir(1)O6 octahedra and corners with two equivalent Cu(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 11°. Cu(1) is bonded to one O(1) and four equivalent O(2) atoms to form CuO5 square pyramids that share  a cornercorner with one Ir(1)O6 octahedra and corners with four equivalent Cu(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 1°. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Ir(1), and one Cu(1) atom to form a mixture of distorted edge and corner-sharing OSr4CuIr octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Tb(1), and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Ir(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2TbCu2IrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.866
_cell_length_b   3.866
_cell_length_c   11.852
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.357
_symmetry_Int_Tables_number   1
_cell_volume   177.135
_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
  Sr  Sr0  1  0.502  0.502  0.194  1.0
  Sr  Sr1  1  0.502  0.502  0.806  1.0
  Tb  Tb2  1  0.499  0.499  0.500  1.0
  Cu  Cu3  1  0.999  0.999  0.359  1.0
  Cu  Cu4  1  0.999  0.999  0.641  1.0
  Ir  Ir5  1  0.981  0.981  0.000  1.0
  O  O6  1  0.993  0.993  0.171  1.0
  O  O7  1  0.993  0.993  0.829  1.0
  O  O8  1  0.499  0.999  0.377  1.0
  O  O9  1  0.999  0.499  0.377  1.0
  O  O10  1  0.499  0.999  0.623  1.0
  O  O11  1  0.999  0.499  0.623  1.0
  O  O12  1  0.935  0.477  0.000  1.0
  O  O13  1  0.477  0.935  0.000  1.0
[/CIF]
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The compound described by IrSr2TbCu2O8 crystallizes in the orthorhombic Amm2 space group. Sr(1) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. Tb(1) is bonded in a body-centered cubic geometry to eight equivalent O(2) atoms. Ir(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form IrO6 octahedra that share corners with four equivalent Ir(1)O6 octahedra and corners with two equivalent Cu(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 11°. Cu(1) is bonded to one O(1) and four equivalent O(2) atoms to form CuO5 square pyramids that share  a cornercorner with one Ir(1)O6 octahedra and corners with four equivalent Cu(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 1°. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Ir(1), and one Cu(1) atom to form a mixture of distorted edge and corner-sharing OSr4CuIr octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Tb(1), and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Ir(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2TbCu2IrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.866
_cell_length_b   3.866
_cell_length_c   11.852
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.357
_symmetry_Int_Tables_number   1
_cell_volume   177.135
_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
  Sr  Sr0  1  0.502  0.502  0.194  1.0
  Sr  Sr1  1  0.502  0.502  0.806  1.0
  Tb  Tb2  1  0.499  0.499  0.500  1.0
  Cu  Cu3  1  0.999  0.999  0.359  1.0
  Cu  Cu4  1  0.999  0.999  0.641  1.0
  Ir  Ir5  1  0.981  0.981  0.000  1.0
  O  O6  1  0.993  0.993  0.171  1.0
  O  O7  1  0.993  0.993  0.829  1.0
  O  O8  1  0.499  0.999  0.377  1.0
  O  O9  1  0.999  0.499  0.377  1.0
  O  O10  1  0.499  0.999  0.623  1.0
  O  O11  1  0.999  0.499  0.623  1.0
  O  O12  1  0.935  0.477  0.000  1.0
  O  O13  1  0.477  0.935  0.000  1.0
[/CIF]
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