The material structure described by K2Sm2IrO7 crystallizes in the trigonal R-3c space group. K(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Sm(1) is bonded in a 7-coordinate geometry to one O(2) and six equivalent O(1) atoms. Ir(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a linear geometry to two equivalent Sm(1) atoms. In the second O site, O(1) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent Sm(1), and one Ir(1) atom. is represented by the CIF card [CIF]
data_K2Sm2IrO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.074
_cell_length_b   13.074
_cell_length_c   13.074
_cell_angle_alpha   25.342
_cell_angle_beta   25.342
_cell_angle_gamma   25.342
_symmetry_Int_Tables_number   1
_cell_volume   360.323
_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
  K  K0  1  0.587  0.587  0.587  1.0
  K  K1  1  0.087  0.087  0.087  1.0
  K  K2  1  0.913  0.913  0.913  1.0
  K  K3  1  0.413  0.413  0.413  1.0
  Sm  Sm4  1  0.191  0.191  0.191  1.0
  Sm  Sm5  1  0.691  0.691  0.691  1.0
  Sm  Sm6  1  0.309  0.309  0.309  1.0
  Sm  Sm7  1  0.809  0.809  0.809  1.0
  Ir  Ir8  1  0.500  0.500  0.500  1.0
  Ir  Ir9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.222  0.792  0.404  1.0
  O  O11  1  0.722  0.904  0.292  1.0
  O  O12  1  0.278  0.096  0.708  1.0
  O  O13  1  0.792  0.404  0.222  1.0
  O  O14  1  0.904  0.292  0.722  1.0
  O  O15  1  0.778  0.208  0.596  1.0
  O  O16  1  0.404  0.222  0.792  1.0
  O  O17  1  0.208  0.596  0.778  1.0
  O  O18  1  0.708  0.278  0.096  1.0
  O  O19  1  0.292  0.722  0.904  1.0
  O  O20  1  0.596  0.778  0.208  1.0
  O  O21  1  0.250  0.250  0.250  1.0
  O  O22  1  0.750  0.750  0.750  1.0
  O  O23  1  0.096  0.708  0.278  1.0
[/CIF]
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The material structure described by K2Sm2IrO7 crystallizes in the trigonal R-3c space group. K(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Sm(1) is bonded in a 7-coordinate geometry to one O(2) and six equivalent O(1) atoms. Ir(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a linear geometry to two equivalent Sm(1) atoms. In the second O site, O(1) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent Sm(1), and one Ir(1) atom. is represented by the CIF card [CIF]
data_K2Sm2IrO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.074
_cell_length_b   13.074
_cell_length_c   13.074
_cell_angle_alpha   25.342
_cell_angle_beta   25.342
_cell_angle_gamma   25.342
_symmetry_Int_Tables_number   1
_cell_volume   360.323
_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
  K  K0  1  0.587  0.587  0.587  1.0
  K  K1  1  0.087  0.087  0.087  1.0
  K  K2  1  0.913  0.913  0.913  1.0
  K  K3  1  0.413  0.413  0.413  1.0
  Sm  Sm4  1  0.191  0.191  0.191  1.0
  Sm  Sm5  1  0.691  0.691  0.691  1.0
  Sm  Sm6  1  0.309  0.309  0.309  1.0
  Sm  Sm7  1  0.809  0.809  0.809  1.0
  Ir  Ir8  1  0.500  0.500  0.500  1.0
  Ir  Ir9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.222  0.792  0.404  1.0
  O  O11  1  0.722  0.904  0.292  1.0
  O  O12  1  0.278  0.096  0.708  1.0
  O  O13  1  0.792  0.404  0.222  1.0
  O  O14  1  0.904  0.292  0.722  1.0
  O  O15  1  0.778  0.208  0.596  1.0
  O  O16  1  0.404  0.222  0.792  1.0
  O  O17  1  0.208  0.596  0.778  1.0
  O  O18  1  0.708  0.278  0.096  1.0
  O  O19  1  0.292  0.722  0.904  1.0
  O  O20  1  0.596  0.778  0.208  1.0
  O  O21  1  0.250  0.250  0.250  1.0
  O  O22  1  0.750  0.750  0.750  1.0
  O  O23  1  0.096  0.708  0.278  1.0
[/CIF]
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