The structure described by Ca2IrSnO6 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Ir(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form IrO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-35°. Sn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SnO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-35°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1), one Ir(1), and one Sn(1) atom to form distorted corner-sharing OCa2SnIr tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one Ir(1), and one Sn(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one Ir(1), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2SnIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.699
_cell_length_b   5.505
_cell_length_c   9.588
_cell_angle_alpha   55.438
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   247.726
_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
  Ca  Ca0  1  0.558  0.735  0.750  1.0
  Ca  Ca1  1  0.058  0.265  0.750  1.0
  Ca  Ca2  1  0.942  0.735  0.250  1.0
  Ca  Ca3  1  0.442  0.265  0.250  1.0
  Sn  Sn4  1  0.000  0.000  0.500  1.0
  Sn  Sn5  1  0.500  0.000  0.000  1.0
  Ir  Ir6  1  0.000  0.500  0.000  1.0
  Ir  Ir7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.038  0.149  0.246  1.0
  O  O9  1  0.304  0.747  0.554  1.0
  O  O10  1  0.299  0.365  0.945  1.0
  O  O11  1  0.799  0.635  0.555  1.0
  O  O12  1  0.804  0.253  0.946  1.0
  O  O13  1  0.538  0.851  0.254  1.0
  O  O14  1  0.462  0.149  0.746  1.0
  O  O15  1  0.196  0.747  0.054  1.0
  O  O16  1  0.201  0.365  0.445  1.0
  O  O17  1  0.696  0.253  0.446  1.0
  O  O18  1  0.701  0.635  0.055  1.0
  O  O19  1  0.962  0.851  0.754  1.0
[/CIF]
.
The structure described by Ca2IrSnO6 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Ir(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form IrO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-35°. Sn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SnO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-35°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1), one Ir(1), and one Sn(1) atom to form distorted corner-sharing OCa2SnIr tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one Ir(1), and one Sn(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one Ir(1), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2SnIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.699
_cell_length_b   5.505
_cell_length_c   9.588
_cell_angle_alpha   55.438
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   247.726
_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
  Ca  Ca0  1  0.558  0.735  0.750  1.0
  Ca  Ca1  1  0.058  0.265  0.750  1.0
  Ca  Ca2  1  0.942  0.735  0.250  1.0
  Ca  Ca3  1  0.442  0.265  0.250  1.0
  Sn  Sn4  1  0.000  0.000  0.500  1.0
  Sn  Sn5  1  0.500  0.000  0.000  1.0
  Ir  Ir6  1  0.000  0.500  0.000  1.0
  Ir  Ir7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.038  0.149  0.246  1.0
  O  O9  1  0.304  0.747  0.554  1.0
  O  O10  1  0.299  0.365  0.945  1.0
  O  O11  1  0.799  0.635  0.555  1.0
  O  O12  1  0.804  0.253  0.946  1.0
  O  O13  1  0.538  0.851  0.254  1.0
  O  O14  1  0.462  0.149  0.746  1.0
  O  O15  1  0.196  0.747  0.054  1.0
  O  O16  1  0.201  0.365  0.445  1.0
  O  O17  1  0.696  0.253  0.446  1.0
  O  O18  1  0.701  0.635  0.055  1.0
  O  O19  1  0.962  0.851  0.754  1.0
[/CIF]
.