The material described by Sr5Ir3O11 is (La,Ba)CuO4-like structured and crystallizes in the monoclinic C2 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(5), two equivalent O(6), and four equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(2), and four equivalent O(4) atoms. In the third Sr site, Sr(3) is bonded to four equivalent O(1), four equivalent O(5), and four equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Sr(3)O12 cuboctahedra, and faces with eight equivalent Ir(2)O6 octahedra. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form corner-sharing IrO6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second Ir site, Ir(2) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(6) atoms to form IrO6 octahedra that share corners with five equivalent Ir(2)O6 octahedra and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-12°. There are six inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(3) and two equivalent Ir(2) atoms to form distorted OSr4Ir2 octahedra that share corners with two equivalent O(3)Sr5Ir octahedra, corners with four equivalent O(1)Sr4Ir2 octahedra, and edges with four equivalent O(1)Sr4Ir2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to one Sr(1), four equivalent Sr(2), and one Ir(1) atom to form distorted OSr5Ir octahedra that share corners with five equivalent O(2)Sr5Ir octahedra, corners with eight equivalent O(4)Sr4Ir2 octahedra, edges with four equivalent O(2)Sr5Ir octahedra, edges with four equivalent O(3)Sr5Ir octahedra, and faces with four equivalent O(4)Sr4Ir2 octahedra. The corner-sharing octahedral tilt angles range from 1-57°. In the third O site, O(3) is bonded to one Sr(2), four equivalent Sr(1), and one Ir(2) atom to form distorted OSr5Ir octahedra that share  a cornercorner with one O(1)Sr4Ir2 octahedra, corners with four equivalent O(4)Sr4Ir2 octahedra, corners with four equivalent O(3)Sr5Ir octahedra, edges with four equivalent O(2)Sr5Ir octahedra, and edges with four equivalent O(3)Sr5Ir octahedra. The corner-sharing octahedral tilt angles range from 1-47°. In the fourth O site, O(4) is bonded to four equivalent Sr(2) and two equivalent Ir(1) atoms to form distorted OSr4Ir2 octahedra that share corners with two equivalent O(4)Sr4Ir2 octahedra, corners with four equivalent O(3)Sr5Ir octahedra, corners with eight equivalent O(2)Sr5Ir octahedra, edges with two equivalent O(4)Sr4Ir2 octahedra, faces with four equivalent O(4)Sr4Ir2 octahedra, and faces with four equivalent O(2)Sr5Ir octahedra. The corner-sharing octahedral tilt angles range from 5-57°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Ir(2) atoms. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Ir(2) atoms. is represented by the CIF file [CIF]
data_Sr5Ir3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.974
_cell_length_b   3.974
_cell_length_c   16.770
_cell_angle_alpha   89.796
_cell_angle_beta   89.796
_cell_angle_gamma   90.930
_symmetry_Int_Tables_number   1
_cell_volume   264.859
_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  0.019  0.015  0.730  1.0
  Sr  Sr1  1  0.985  0.981  0.270  1.0
  Sr  Sr2  1  0.517  0.490  0.889  1.0
  Sr  Sr3  1  0.510  0.483  0.111  1.0
  Sr  Sr4  1  1.000  0.000  0.500  1.0
  Ir  Ir5  1  0.008  0.992  0.000  1.0
  Ir  Ir6  1  0.505  0.505  0.623  1.0
  Ir  Ir7  1  0.495  0.495  0.377  1.0
  O  O8  1  0.500  0.500  0.500  1.0
  O  O9  1  0.008  0.996  0.876  1.0
  O  O10  1  0.004  0.992  0.124  1.0
  O  O11  1  0.505  0.503  0.744  1.0
  O  O12  1  0.497  0.495  0.256  1.0
  O  O13  1  0.032  0.490  0.000  1.0
  O  O14  1  0.510  0.968  1.000  1.0
  O  O15  1  0.010  0.558  0.621  1.0
  O  O16  1  0.558  0.010  0.621  1.0
  O  O17  1  0.990  0.442  0.379  1.0
  O  O18  1  0.442  0.990  0.379  1.0
[/CIF]
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The material described by Sr5Ir3O11 is (La,Ba)CuO4-like structured and crystallizes in the monoclinic C2 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(5), two equivalent O(6), and four equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(2), and four equivalent O(4) atoms. In the third Sr site, Sr(3) is bonded to four equivalent O(1), four equivalent O(5), and four equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Sr(3)O12 cuboctahedra, and faces with eight equivalent Ir(2)O6 octahedra. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form corner-sharing IrO6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second Ir site, Ir(2) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(6) atoms to form IrO6 octahedra that share corners with five equivalent Ir(2)O6 octahedra and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-12°. There are six inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(3) and two equivalent Ir(2) atoms to form distorted OSr4Ir2 octahedra that share corners with two equivalent O(3)Sr5Ir octahedra, corners with four equivalent O(1)Sr4Ir2 octahedra, and edges with four equivalent O(1)Sr4Ir2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to one Sr(1), four equivalent Sr(2), and one Ir(1) atom to form distorted OSr5Ir octahedra that share corners with five equivalent O(2)Sr5Ir octahedra, corners with eight equivalent O(4)Sr4Ir2 octahedra, edges with four equivalent O(2)Sr5Ir octahedra, edges with four equivalent O(3)Sr5Ir octahedra, and faces with four equivalent O(4)Sr4Ir2 octahedra. The corner-sharing octahedral tilt angles range from 1-57°. In the third O site, O(3) is bonded to one Sr(2), four equivalent Sr(1), and one Ir(2) atom to form distorted OSr5Ir octahedra that share  a cornercorner with one O(1)Sr4Ir2 octahedra, corners with four equivalent O(4)Sr4Ir2 octahedra, corners with four equivalent O(3)Sr5Ir octahedra, edges with four equivalent O(2)Sr5Ir octahedra, and edges with four equivalent O(3)Sr5Ir octahedra. The corner-sharing octahedral tilt angles range from 1-47°. In the fourth O site, O(4) is bonded to four equivalent Sr(2) and two equivalent Ir(1) atoms to form distorted OSr4Ir2 octahedra that share corners with two equivalent O(4)Sr4Ir2 octahedra, corners with four equivalent O(3)Sr5Ir octahedra, corners with eight equivalent O(2)Sr5Ir octahedra, edges with two equivalent O(4)Sr4Ir2 octahedra, faces with four equivalent O(4)Sr4Ir2 octahedra, and faces with four equivalent O(2)Sr5Ir octahedra. The corner-sharing octahedral tilt angles range from 5-57°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Ir(2) atoms. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Ir(2) atoms. is represented by the CIF file [CIF]
data_Sr5Ir3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.974
_cell_length_b   3.974
_cell_length_c   16.770
_cell_angle_alpha   89.796
_cell_angle_beta   89.796
_cell_angle_gamma   90.930
_symmetry_Int_Tables_number   1
_cell_volume   264.859
_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  0.019  0.015  0.730  1.0
  Sr  Sr1  1  0.985  0.981  0.270  1.0
  Sr  Sr2  1  0.517  0.490  0.889  1.0
  Sr  Sr3  1  0.510  0.483  0.111  1.0
  Sr  Sr4  1  1.000  0.000  0.500  1.0
  Ir  Ir5  1  0.008  0.992  0.000  1.0
  Ir  Ir6  1  0.505  0.505  0.623  1.0
  Ir  Ir7  1  0.495  0.495  0.377  1.0
  O  O8  1  0.500  0.500  0.500  1.0
  O  O9  1  0.008  0.996  0.876  1.0
  O  O10  1  0.004  0.992  0.124  1.0
  O  O11  1  0.505  0.503  0.744  1.0
  O  O12  1  0.497  0.495  0.256  1.0
  O  O13  1  0.032  0.490  0.000  1.0
  O  O14  1  0.510  0.968  1.000  1.0
  O  O15  1  0.010  0.558  0.621  1.0
  O  O16  1  0.558  0.010  0.621  1.0
  O  O17  1  0.990  0.442  0.379  1.0
  O  O18  1  0.442  0.990  0.379  1.0
[/CIF]
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