The structure described by CaPtO6 crystallizes in the monoclinic Cc space group. Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Pt(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one Pt(1), and one O(5) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one Pt(1), and one O(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one Pt(1), and one O(6) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one Pt(1), and one O(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one Pt(1), and one O(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one Pt(1), and one O(3) atom. is represented by the CIF card [CIF]
data_CaPtO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.656
_cell_length_b   6.656
_cell_length_c   7.173
_cell_angle_alpha   89.651
_cell_angle_beta   89.651
_cell_angle_gamma   120.474
_symmetry_Int_Tables_number   1
_cell_volume   273.809
_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  0.667  0.332  0.252  1.0
  Ca  Ca1  1  0.332  0.667  0.752  1.0
  Pt  Pt2  1  0.000  0.999  0.500  1.0
  Pt  Pt3  1  0.999  0.000  1.000  1.0
  O  O4  1  0.283  0.205  0.334  1.0
  O  O5  1  0.914  0.716  0.337  1.0
  O  O6  1  0.799  0.082  0.338  1.0
  O  O7  1  0.205  0.283  0.834  1.0
  O  O8  1  0.082  0.799  0.838  1.0
  O  O9  1  0.716  0.914  0.837  1.0
  O  O10  1  0.716  0.797  0.666  1.0
  O  O11  1  0.092  0.286  0.660  1.0
  O  O12  1  0.198  0.912  0.662  1.0
  O  O13  1  0.797  0.716  0.166  1.0
  O  O14  1  0.912  0.198  0.162  1.0
  O  O15  1  0.286  0.092  0.160  1.0
[/CIF]
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The structure described by CaPtO6 crystallizes in the monoclinic Cc space group. Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Pt(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one Pt(1), and one O(5) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one Pt(1), and one O(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one Pt(1), and one O(6) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one Pt(1), and one O(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one Pt(1), and one O(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one Pt(1), and one O(3) atom. is represented by the CIF card [CIF]
data_CaPtO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.656
_cell_length_b   6.656
_cell_length_c   7.173
_cell_angle_alpha   89.651
_cell_angle_beta   89.651
_cell_angle_gamma   120.474
_symmetry_Int_Tables_number   1
_cell_volume   273.809
_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  0.667  0.332  0.252  1.0
  Ca  Ca1  1  0.332  0.667  0.752  1.0
  Pt  Pt2  1  0.000  0.999  0.500  1.0
  Pt  Pt3  1  0.999  0.000  1.000  1.0
  O  O4  1  0.283  0.205  0.334  1.0
  O  O5  1  0.914  0.716  0.337  1.0
  O  O6  1  0.799  0.082  0.338  1.0
  O  O7  1  0.205  0.283  0.834  1.0
  O  O8  1  0.082  0.799  0.838  1.0
  O  O9  1  0.716  0.914  0.837  1.0
  O  O10  1  0.716  0.797  0.666  1.0
  O  O11  1  0.092  0.286  0.660  1.0
  O  O12  1  0.198  0.912  0.662  1.0
  O  O13  1  0.797  0.716  0.166  1.0
  O  O14  1  0.912  0.198  0.162  1.0
  O  O15  1  0.286  0.092  0.160  1.0
[/CIF]
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