The material described by Sr4Ir3O10 is (Cubic) Perovskite-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to four equivalent O(2) and five equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded to four equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with eight equivalent Sr(2)O12 cuboctahedra, faces with five equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Ir(1)O6 octahedra, and faces with four equivalent Ir(2)O6 octahedra. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to one O(1), one O(3), and four equivalent O(2) atoms to form IrO6 octahedra that share  a cornercorner with one Ir(2)O6 octahedra, corners with four equivalent Ir(1)O6 octahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the second Ir site, Ir(2) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form IrO6 octahedra that share corners with two equivalent Ir(1)O6 octahedra, corners with four equivalent Ir(2)O6 octahedra, and faces with eight equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded to five equivalent Sr(1) and one Ir(1) atom to form distorted OSr5Ir octahedra that share  a cornercorner with one O(3)Sr4Ir2 octahedra, corners with four equivalent O(1)Sr5Ir octahedra, corners with twelve equivalent O(2)Sr4Ir2 octahedra, edges with eight equivalent O(1)Sr5Ir octahedra, and faces with four equivalent O(2)Sr4Ir2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ir(1) atoms to form distorted OSr4Ir2 octahedra that share corners with two equivalent O(2)Sr4Ir2 octahedra, corners with four equivalent O(3)Sr4Ir2 octahedra, corners with six equivalent O(4)Sr4Ir2 octahedra, corners with six equivalent O(1)Sr5Ir octahedra,  an edgeedge with one O(4)Sr4Ir2 octahedra, edges with two equivalent O(2)Sr4Ir2 octahedra, faces with two equivalent O(3)Sr4Ir2 octahedra, faces with two equivalent O(1)Sr5Ir octahedra, and faces with four equivalent O(2)Sr4Ir2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the third O site, O(3) is bonded to four equivalent Sr(2), one Ir(1), and one Ir(2) atom to form distorted OSr4Ir2 octahedra that share  a cornercorner with one O(1)Sr5Ir octahedra, corners with five equivalent O(3)Sr4Ir2 octahedra, corners with eight equivalent O(2)Sr4Ir2 octahedra, corners with eight equivalent O(4)Sr4Ir2 octahedra, edges with four equivalent O(3)Sr4Ir2 octahedra, faces with four equivalent O(2)Sr4Ir2 octahedra, and faces with four equivalent O(4)Sr4Ir2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the fourth O site, O(4) is bonded to four equivalent Sr(2) and two equivalent Ir(2) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Ir2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF file [CIF]
data_Sr4Ir3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.663
_cell_length_b   14.663
_cell_length_c   14.663
_cell_angle_alpha   164.372
_cell_angle_beta   164.372
_cell_angle_gamma   22.171
_symmetry_Int_Tables_number   1
_cell_volume   228.762
_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  0.298  0.298  0.000  1.0
  Sr  Sr1  1  0.702  0.702  0.000  1.0
  Sr  Sr2  1  0.431  0.431  0.000  1.0
  Sr  Sr3  1  0.569  0.569  0.000  1.0
  Ir  Ir4  1  0.143  0.143  0.000  1.0
  Ir  Ir5  1  0.857  0.857  0.000  1.0
  Ir  Ir6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.213  0.213  0.000  1.0
  O  O8  1  0.787  0.787  0.000  1.0
  O  O9  1  0.637  0.137  0.500  1.0
  O  O10  1  0.363  0.863  0.500  1.0
  O  O11  1  0.137  0.637  0.500  1.0
  O  O12  1  0.863  0.363  0.500  1.0
  O  O13  1  0.070  0.070  0.000  1.0
  O  O14  1  0.930  0.930  0.000  1.0
  O  O15  1  0.500  0.000  0.500  1.0
  O  O16  1  0.000  0.500  0.500  1.0
[/CIF]
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The material described by Sr4Ir3O10 is (Cubic) Perovskite-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to four equivalent O(2) and five equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded to four equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with eight equivalent Sr(2)O12 cuboctahedra, faces with five equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Ir(1)O6 octahedra, and faces with four equivalent Ir(2)O6 octahedra. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to one O(1), one O(3), and four equivalent O(2) atoms to form IrO6 octahedra that share  a cornercorner with one Ir(2)O6 octahedra, corners with four equivalent Ir(1)O6 octahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the second Ir site, Ir(2) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form IrO6 octahedra that share corners with two equivalent Ir(1)O6 octahedra, corners with four equivalent Ir(2)O6 octahedra, and faces with eight equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded to five equivalent Sr(1) and one Ir(1) atom to form distorted OSr5Ir octahedra that share  a cornercorner with one O(3)Sr4Ir2 octahedra, corners with four equivalent O(1)Sr5Ir octahedra, corners with twelve equivalent O(2)Sr4Ir2 octahedra, edges with eight equivalent O(1)Sr5Ir octahedra, and faces with four equivalent O(2)Sr4Ir2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ir(1) atoms to form distorted OSr4Ir2 octahedra that share corners with two equivalent O(2)Sr4Ir2 octahedra, corners with four equivalent O(3)Sr4Ir2 octahedra, corners with six equivalent O(4)Sr4Ir2 octahedra, corners with six equivalent O(1)Sr5Ir octahedra,  an edgeedge with one O(4)Sr4Ir2 octahedra, edges with two equivalent O(2)Sr4Ir2 octahedra, faces with two equivalent O(3)Sr4Ir2 octahedra, faces with two equivalent O(1)Sr5Ir octahedra, and faces with four equivalent O(2)Sr4Ir2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the third O site, O(3) is bonded to four equivalent Sr(2), one Ir(1), and one Ir(2) atom to form distorted OSr4Ir2 octahedra that share  a cornercorner with one O(1)Sr5Ir octahedra, corners with five equivalent O(3)Sr4Ir2 octahedra, corners with eight equivalent O(2)Sr4Ir2 octahedra, corners with eight equivalent O(4)Sr4Ir2 octahedra, edges with four equivalent O(3)Sr4Ir2 octahedra, faces with four equivalent O(2)Sr4Ir2 octahedra, and faces with four equivalent O(4)Sr4Ir2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the fourth O site, O(4) is bonded to four equivalent Sr(2) and two equivalent Ir(2) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Ir2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF file [CIF]
data_Sr4Ir3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.663
_cell_length_b   14.663
_cell_length_c   14.663
_cell_angle_alpha   164.372
_cell_angle_beta   164.372
_cell_angle_gamma   22.171
_symmetry_Int_Tables_number   1
_cell_volume   228.762
_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  0.298  0.298  0.000  1.0
  Sr  Sr1  1  0.702  0.702  0.000  1.0
  Sr  Sr2  1  0.431  0.431  0.000  1.0
  Sr  Sr3  1  0.569  0.569  0.000  1.0
  Ir  Ir4  1  0.143  0.143  0.000  1.0
  Ir  Ir5  1  0.857  0.857  0.000  1.0
  Ir  Ir6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.213  0.213  0.000  1.0
  O  O8  1  0.787  0.787  0.000  1.0
  O  O9  1  0.637  0.137  0.500  1.0
  O  O10  1  0.363  0.863  0.500  1.0
  O  O11  1  0.137  0.637  0.500  1.0
  O  O12  1  0.863  0.363  0.500  1.0
  O  O13  1  0.070  0.070  0.000  1.0
  O  O14  1  0.930  0.930  0.000  1.0
  O  O15  1  0.500  0.000  0.500  1.0
  O  O16  1  0.000  0.500  0.500  1.0
[/CIF]
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