The structure described by Sr2TbIrO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. Tb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TbO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-25°. Ir(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form IrO6 octahedra that share corners with six equivalent Tb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-25°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Tb(1), and one Ir(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Tb(1), and one Ir(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Tb(1), and one Ir(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2TbIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.891
_cell_length_b   5.833
_cell_length_c   10.093
_cell_angle_alpha   55.132
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   284.546
_cell_formula_units_Z   2
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  0.464  0.759  0.249  1.0
  Sr  Sr1  1  0.964  0.241  0.251  1.0
  Sr  Sr2  1  0.036  0.759  0.749  1.0
  Sr  Sr3  1  0.536  0.241  0.751  1.0
  Tb  Tb4  1  0.500  0.500  0.000  1.0
  Tb  Tb5  1  0.000  0.500  0.500  1.0
  Ir  Ir6  1  0.000  0.000  0.000  1.0
  Ir  Ir7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.200  0.232  0.038  1.0
  O  O9  1  0.700  0.768  0.462  1.0
  O  O10  1  0.800  0.768  0.962  1.0
  O  O11  1  0.300  0.232  0.538  1.0
  O  O12  1  0.729  0.156  0.040  1.0
  O  O13  1  0.229  0.844  0.460  1.0
  O  O14  1  0.271  0.844  0.960  1.0
  O  O15  1  0.771  0.156  0.540  1.0
  O  O16  1  0.519  0.308  0.266  1.0
  O  O17  1  0.019  0.692  0.234  1.0
  O  O18  1  0.481  0.692  0.734  1.0
  O  O19  1  0.981  0.308  0.766  1.0
[/CIF]
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The structure described by Sr2TbIrO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. Tb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TbO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-25°. Ir(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form IrO6 octahedra that share corners with six equivalent Tb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-25°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Tb(1), and one Ir(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Tb(1), and one Ir(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Tb(1), and one Ir(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2TbIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.891
_cell_length_b   5.833
_cell_length_c   10.093
_cell_angle_alpha   55.132
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   284.546
_cell_formula_units_Z   2
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  0.464  0.759  0.249  1.0
  Sr  Sr1  1  0.964  0.241  0.251  1.0
  Sr  Sr2  1  0.036  0.759  0.749  1.0
  Sr  Sr3  1  0.536  0.241  0.751  1.0
  Tb  Tb4  1  0.500  0.500  0.000  1.0
  Tb  Tb5  1  0.000  0.500  0.500  1.0
  Ir  Ir6  1  0.000  0.000  0.000  1.0
  Ir  Ir7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.200  0.232  0.038  1.0
  O  O9  1  0.700  0.768  0.462  1.0
  O  O10  1  0.800  0.768  0.962  1.0
  O  O11  1  0.300  0.232  0.538  1.0
  O  O12  1  0.729  0.156  0.040  1.0
  O  O13  1  0.229  0.844  0.460  1.0
  O  O14  1  0.271  0.844  0.960  1.0
  O  O15  1  0.771  0.156  0.540  1.0
  O  O16  1  0.519  0.308  0.266  1.0
  O  O17  1  0.019  0.692  0.234  1.0
  O  O18  1  0.481  0.692  0.734  1.0
  O  O19  1  0.981  0.308  0.766  1.0
[/CIF]
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