The compound described by Ba3SrIr2O9 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to one O(2), two equivalent O(4), three equivalent O(1), three equivalent O(3), and three equivalent O(5) atoms. Sr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form SrO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-19°. Ir(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form IrO6 octahedra that share corners with three equivalent Sr(1)O6 octahedra and  a faceface with one Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-19°. There are five inequivalent O sites. In the first O site, O(5) is bonded in a 5-coordinate geometry to three equivalent Ba(2), one Sr(1), and one Ir(1) atom. In the second O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), three equivalent Ba(2), one Sr(1), and one Ir(1) atom. In the third O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ir(1) atoms. In the fourth O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), three equivalent Ba(2), one Sr(1), and one Ir(1) atom. In the fifth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ir(1) atoms. is represented by the CIF card [CIF]
data_Ba3SrIr2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.057
_cell_length_b   6.057
_cell_length_c   15.069
_cell_angle_alpha   88.431
_cell_angle_beta   88.431
_cell_angle_gamma   119.425
_symmetry_Int_Tables_number   1
_cell_volume   480.755
_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
  Ba  Ba0  1  0.988  0.012  0.250  1.0
  Ba  Ba1  1  0.012  0.988  0.750  1.0
  Ba  Ba2  1  0.327  0.659  0.091  1.0
  Ba  Ba3  1  0.673  0.341  0.909  1.0
  Ba  Ba4  1  0.659  0.327  0.591  1.0
  Ba  Ba5  1  0.341  0.673  0.409  1.0
  Sr  Sr6  1  0.000  0.000  0.000  1.0
  Sr  Sr7  1  0.000  0.000  0.500  1.0
  Ir  Ir8  1  0.690  0.361  0.334  1.0
  Ir  Ir9  1  0.310  0.639  0.666  1.0
  Ir  Ir10  1  0.361  0.690  0.834  1.0
  Ir  Ir11  1  0.639  0.310  0.166  1.0
  O  O12  1  0.683  0.867  0.892  1.0
  O  O13  1  0.509  0.491  0.250  1.0
  O  O14  1  0.130  0.770  0.596  1.0
  O  O15  1  0.511  0.034  0.267  1.0
  O  O16  1  0.230  0.870  0.904  1.0
  O  O17  1  0.966  0.489  0.233  1.0
  O  O18  1  0.317  0.133  0.108  1.0
  O  O19  1  0.870  0.230  0.404  1.0
  O  O20  1  0.489  0.966  0.733  1.0
  O  O21  1  0.491  0.509  0.750  1.0
  O  O22  1  0.867  0.683  0.392  1.0
  O  O23  1  0.766  0.581  0.074  1.0
  O  O24  1  0.581  0.766  0.574  1.0
  O  O25  1  0.234  0.419  0.926  1.0
  O  O26  1  0.034  0.511  0.767  1.0
  O  O27  1  0.419  0.234  0.426  1.0
  O  O28  1  0.133  0.317  0.608  1.0
  O  O29  1  0.770  0.130  0.096  1.0
[/CIF]
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The compound described by Ba3SrIr2O9 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to one O(2), two equivalent O(4), three equivalent O(1), three equivalent O(3), and three equivalent O(5) atoms. Sr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form SrO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-19°. Ir(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form IrO6 octahedra that share corners with three equivalent Sr(1)O6 octahedra and  a faceface with one Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-19°. There are five inequivalent O sites. In the first O site, O(5) is bonded in a 5-coordinate geometry to three equivalent Ba(2), one Sr(1), and one Ir(1) atom. In the second O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), three equivalent Ba(2), one Sr(1), and one Ir(1) atom. In the third O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ir(1) atoms. In the fourth O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), three equivalent Ba(2), one Sr(1), and one Ir(1) atom. In the fifth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ir(1) atoms. is represented by the CIF card [CIF]
data_Ba3SrIr2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.057
_cell_length_b   6.057
_cell_length_c   15.069
_cell_angle_alpha   88.431
_cell_angle_beta   88.431
_cell_angle_gamma   119.425
_symmetry_Int_Tables_number   1
_cell_volume   480.755
_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
  Ba  Ba0  1  0.988  0.012  0.250  1.0
  Ba  Ba1  1  0.012  0.988  0.750  1.0
  Ba  Ba2  1  0.327  0.659  0.091  1.0
  Ba  Ba3  1  0.673  0.341  0.909  1.0
  Ba  Ba4  1  0.659  0.327  0.591  1.0
  Ba  Ba5  1  0.341  0.673  0.409  1.0
  Sr  Sr6  1  0.000  0.000  0.000  1.0
  Sr  Sr7  1  0.000  0.000  0.500  1.0
  Ir  Ir8  1  0.690  0.361  0.334  1.0
  Ir  Ir9  1  0.310  0.639  0.666  1.0
  Ir  Ir10  1  0.361  0.690  0.834  1.0
  Ir  Ir11  1  0.639  0.310  0.166  1.0
  O  O12  1  0.683  0.867  0.892  1.0
  O  O13  1  0.509  0.491  0.250  1.0
  O  O14  1  0.130  0.770  0.596  1.0
  O  O15  1  0.511  0.034  0.267  1.0
  O  O16  1  0.230  0.870  0.904  1.0
  O  O17  1  0.966  0.489  0.233  1.0
  O  O18  1  0.317  0.133  0.108  1.0
  O  O19  1  0.870  0.230  0.404  1.0
  O  O20  1  0.489  0.966  0.733  1.0
  O  O21  1  0.491  0.509  0.750  1.0
  O  O22  1  0.867  0.683  0.392  1.0
  O  O23  1  0.766  0.581  0.074  1.0
  O  O24  1  0.581  0.766  0.574  1.0
  O  O25  1  0.234  0.419  0.926  1.0
  O  O26  1  0.034  0.511  0.767  1.0
  O  O27  1  0.419  0.234  0.426  1.0
  O  O28  1  0.133  0.317  0.608  1.0
  O  O29  1  0.770  0.130  0.096  1.0
[/CIF]
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