The structure described by Sr4Co(IrO4)3 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(5), one O(6), two equivalent O(2), and two equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(2), one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(3) atoms. There are three inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing IrO6 octahedra. The corner-sharing octahedral tilt angles range from 25-27°. In the second Ir site, Ir(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form IrO6 octahedra that share corners with two equivalent Co(1)O6 octahedra and corners with four equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-27°. In the third Ir site, Ir(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form IrO6 octahedra that share corners with two equivalent Ir(1)O6 octahedra and corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-25°. Co(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Ir(2)O6 octahedra and corners with four equivalent Ir(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-22°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Ir(3), and one Co(1) atom. In the second O site, O(2) is bonded to one Sr(2), two equivalent Sr(1), one Ir(1), and one Ir(2) atom to form a mixture of distorted edge and corner-sharing OSr3Ir2 trigonal bipyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Ir(1), and one Ir(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(1), one Ir(3), and one Co(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Ir(1), and one Ir(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Ir(2), and one Co(1) atom. is represented by the CIF file [CIF]
data_Sr4Co(IrO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.602
_cell_length_b   5.663
_cell_length_c   7.953
_cell_angle_alpha   90.313
_cell_angle_beta   90.039
_cell_angle_gamma   90.137
_symmetry_Int_Tables_number   1
_cell_volume   252.262
_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  0.504  0.464  0.759  1.0
  Sr  Sr1  1  0.988  0.958  0.760  1.0
  Sr  Sr2  1  0.496  0.536  0.241  1.0
  Sr  Sr3  1  0.012  0.042  0.240  1.0
  Co  Co4  1  0.000  0.500  0.000  1.0
  Ir  Ir5  1  0.500  0.000  0.500  1.0
  Ir  Ir6  1  0.000  0.500  0.500  1.0
  Ir  Ir7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.777  0.212  0.972  1.0
  O  O9  1  0.701  0.702  0.536  1.0
  O  O10  1  0.203  0.796  0.461  1.0
  O  O11  1  0.291  0.279  0.034  1.0
  O  O12  1  0.223  0.788  0.028  1.0
  O  O13  1  0.299  0.298  0.464  1.0
  O  O14  1  0.797  0.204  0.539  1.0
  O  O15  1  0.709  0.721  0.966  1.0
  O  O16  1  0.423  0.016  0.750  1.0
  O  O17  1  0.057  0.508  0.742  1.0
  O  O18  1  0.577  0.984  0.250  1.0
  O  O19  1  0.943  0.492  0.258  1.0
[/CIF]
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The structure described by Sr4Co(IrO4)3 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(5), one O(6), two equivalent O(2), and two equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(2), one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(3) atoms. There are three inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing IrO6 octahedra. The corner-sharing octahedral tilt angles range from 25-27°. In the second Ir site, Ir(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form IrO6 octahedra that share corners with two equivalent Co(1)O6 octahedra and corners with four equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-27°. In the third Ir site, Ir(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form IrO6 octahedra that share corners with two equivalent Ir(1)O6 octahedra and corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-25°. Co(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Ir(2)O6 octahedra and corners with four equivalent Ir(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-22°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Ir(3), and one Co(1) atom. In the second O site, O(2) is bonded to one Sr(2), two equivalent Sr(1), one Ir(1), and one Ir(2) atom to form a mixture of distorted edge and corner-sharing OSr3Ir2 trigonal bipyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Ir(1), and one Ir(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(1), one Ir(3), and one Co(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Ir(1), and one Ir(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Ir(2), and one Co(1) atom. is represented by the CIF file [CIF]
data_Sr4Co(IrO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.602
_cell_length_b   5.663
_cell_length_c   7.953
_cell_angle_alpha   90.313
_cell_angle_beta   90.039
_cell_angle_gamma   90.137
_symmetry_Int_Tables_number   1
_cell_volume   252.262
_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  0.504  0.464  0.759  1.0
  Sr  Sr1  1  0.988  0.958  0.760  1.0
  Sr  Sr2  1  0.496  0.536  0.241  1.0
  Sr  Sr3  1  0.012  0.042  0.240  1.0
  Co  Co4  1  0.000  0.500  0.000  1.0
  Ir  Ir5  1  0.500  0.000  0.500  1.0
  Ir  Ir6  1  0.000  0.500  0.500  1.0
  Ir  Ir7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.777  0.212  0.972  1.0
  O  O9  1  0.701  0.702  0.536  1.0
  O  O10  1  0.203  0.796  0.461  1.0
  O  O11  1  0.291  0.279  0.034  1.0
  O  O12  1  0.223  0.788  0.028  1.0
  O  O13  1  0.299  0.298  0.464  1.0
  O  O14  1  0.797  0.204  0.539  1.0
  O  O15  1  0.709  0.721  0.966  1.0
  O  O16  1  0.423  0.016  0.750  1.0
  O  O17  1  0.057  0.508  0.742  1.0
  O  O18  1  0.577  0.984  0.250  1.0
  O  O19  1  0.943  0.492  0.258  1.0
[/CIF]
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