The material described by Ca2IrPtO6 crystallizes in the monoclinic C2/m space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. Ir(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form IrO6 octahedra that share corners with two equivalent Pt(1)O6 octahedra and edges with two equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. Pt(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form PtO6 octahedra that share corners with two equivalent Ir(1)O6 octahedra and edges with two equivalent Pt(1)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Ca(1) and two equivalent Pt(1) atoms to form distorted OCa3Pt2 trigonal bipyramids that share corners with seven equivalent O(2)Ca3Ir2 square pyramids, corners with four equivalent O(3)Ca2IrPt tetrahedra, corners with two equivalent O(1)Ca3Pt2 trigonal bipyramids,  an edgeedge with one O(2)Ca3Ir2 square pyramid, edges with three equivalent O(3)Ca2IrPt tetrahedra, and edges with five equivalent O(1)Ca3Pt2 trigonal bipyramids. In the second O site, O(2) is bonded to three equivalent Ca(1) and two equivalent Ir(1) atoms to form distorted OCa3Ir2 square pyramids that share corners with two equivalent O(2)Ca3Ir2 square pyramids, corners with four equivalent O(3)Ca2IrPt tetrahedra, corners with seven equivalent O(1)Ca3Pt2 trigonal bipyramids, edges with five equivalent O(2)Ca3Ir2 square pyramids, edges with three equivalent O(3)Ca2IrPt tetrahedra, and  an edgeedge with one O(1)Ca3Pt2 trigonal bipyramid. In the third O site, O(3) is bonded to two equivalent Ca(1), one Ir(1), and one Pt(1) atom to form distorted OCa2IrPt tetrahedra that share corners with four equivalent O(2)Ca3Ir2 square pyramids, corners with four equivalent O(3)Ca2IrPt tetrahedra, corners with four equivalent O(1)Ca3Pt2 trigonal bipyramids, edges with three equivalent O(2)Ca3Ir2 square pyramids, and edges with three equivalent O(1)Ca3Pt2 trigonal bipyramids. is represented by the CIF card [CIF]
data_Ca2IrPtO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.215
_cell_length_b   5.215
_cell_length_c   7.414
_cell_angle_alpha   89.791
_cell_angle_beta   89.791
_cell_angle_gamma   35.819
_symmetry_Int_Tables_number   1
_cell_volume   118.006
_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
  Ca  Ca0  1  0.749  0.749  0.254  1.0
  Ca  Ca1  1  0.251  0.251  0.746  1.0
  Ir  Ir2  1  0.000  0.000  0.500  1.0
  Pt  Pt3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.371  0.371  0.045  1.0
  O  O5  1  0.629  0.629  0.955  1.0
  O  O6  1  0.375  0.375  0.450  1.0
  O  O7  1  0.625  0.625  0.550  1.0
  O  O8  1  0.081  0.081  0.253  1.0
  O  O9  1  0.919  0.919  0.747  1.0
[/CIF]
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The material described by Ca2IrPtO6 crystallizes in the monoclinic C2/m space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. Ir(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form IrO6 octahedra that share corners with two equivalent Pt(1)O6 octahedra and edges with two equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. Pt(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form PtO6 octahedra that share corners with two equivalent Ir(1)O6 octahedra and edges with two equivalent Pt(1)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Ca(1) and two equivalent Pt(1) atoms to form distorted OCa3Pt2 trigonal bipyramids that share corners with seven equivalent O(2)Ca3Ir2 square pyramids, corners with four equivalent O(3)Ca2IrPt tetrahedra, corners with two equivalent O(1)Ca3Pt2 trigonal bipyramids,  an edgeedge with one O(2)Ca3Ir2 square pyramid, edges with three equivalent O(3)Ca2IrPt tetrahedra, and edges with five equivalent O(1)Ca3Pt2 trigonal bipyramids. In the second O site, O(2) is bonded to three equivalent Ca(1) and two equivalent Ir(1) atoms to form distorted OCa3Ir2 square pyramids that share corners with two equivalent O(2)Ca3Ir2 square pyramids, corners with four equivalent O(3)Ca2IrPt tetrahedra, corners with seven equivalent O(1)Ca3Pt2 trigonal bipyramids, edges with five equivalent O(2)Ca3Ir2 square pyramids, edges with three equivalent O(3)Ca2IrPt tetrahedra, and  an edgeedge with one O(1)Ca3Pt2 trigonal bipyramid. In the third O site, O(3) is bonded to two equivalent Ca(1), one Ir(1), and one Pt(1) atom to form distorted OCa2IrPt tetrahedra that share corners with four equivalent O(2)Ca3Ir2 square pyramids, corners with four equivalent O(3)Ca2IrPt tetrahedra, corners with four equivalent O(1)Ca3Pt2 trigonal bipyramids, edges with three equivalent O(2)Ca3Ir2 square pyramids, and edges with three equivalent O(1)Ca3Pt2 trigonal bipyramids. is represented by the CIF card [CIF]
data_Ca2IrPtO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.215
_cell_length_b   5.215
_cell_length_c   7.414
_cell_angle_alpha   89.791
_cell_angle_beta   89.791
_cell_angle_gamma   35.819
_symmetry_Int_Tables_number   1
_cell_volume   118.006
_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
  Ca  Ca0  1  0.749  0.749  0.254  1.0
  Ca  Ca1  1  0.251  0.251  0.746  1.0
  Ir  Ir2  1  0.000  0.000  0.500  1.0
  Pt  Pt3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.371  0.371  0.045  1.0
  O  O5  1  0.629  0.629  0.955  1.0
  O  O6  1  0.375  0.375  0.450  1.0
  O  O7  1  0.625  0.625  0.550  1.0
  O  O8  1  0.081  0.081  0.253  1.0
  O  O9  1  0.919  0.919  0.747  1.0
[/CIF]
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