The material structure described by CaPt3O4 crystallizes in the cubic Pm-3n space group. Ca(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Pt(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to two equivalent Ca(1) and three equivalent Pt(1) atoms to form a mixture of edge and corner-sharing OCa2Pt3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaPt3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.875
_cell_length_b   5.875
_cell_length_c   5.875
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   202.795
_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  0.000  0.000  0.000  1.0
  Ca  Ca1  1  0.500  0.500  0.500  1.0
  Pt  Pt2  1  0.000  0.500  0.250  1.0
  Pt  Pt3  1  0.000  0.500  0.750  1.0
  Pt  Pt4  1  0.250  0.000  0.500  1.0
  Pt  Pt5  1  0.500  0.250  0.000  1.0
  Pt  Pt6  1  0.500  0.750  0.000  1.0
  Pt  Pt7  1  0.750  0.000  0.500  1.0
  O  O8  1  0.250  0.250  0.250  1.0
  O  O9  1  0.250  0.750  0.250  1.0
  O  O10  1  0.250  0.250  0.750  1.0
  O  O11  1  0.250  0.750  0.750  1.0
  O  O12  1  0.750  0.250  0.250  1.0
  O  O13  1  0.750  0.250  0.750  1.0
  O  O14  1  0.750  0.750  0.250  1.0
  O  O15  1  0.750  0.750  0.750  1.0
[/CIF]
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The material structure described by CaPt3O4 crystallizes in the cubic Pm-3n space group. Ca(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Pt(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to two equivalent Ca(1) and three equivalent Pt(1) atoms to form a mixture of edge and corner-sharing OCa2Pt3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaPt3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.875
_cell_length_b   5.875
_cell_length_c   5.875
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   202.795
_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  0.000  0.000  0.000  1.0
  Ca  Ca1  1  0.500  0.500  0.500  1.0
  Pt  Pt2  1  0.000  0.500  0.250  1.0
  Pt  Pt3  1  0.000  0.500  0.750  1.0
  Pt  Pt4  1  0.250  0.000  0.500  1.0
  Pt  Pt5  1  0.500  0.250  0.000  1.0
  Pt  Pt6  1  0.500  0.750  0.000  1.0
  Pt  Pt7  1  0.750  0.000  0.500  1.0
  O  O8  1  0.250  0.250  0.250  1.0
  O  O9  1  0.250  0.750  0.250  1.0
  O  O10  1  0.250  0.250  0.750  1.0
  O  O11  1  0.250  0.750  0.750  1.0
  O  O12  1  0.750  0.250  0.250  1.0
  O  O13  1  0.750  0.250  0.750  1.0
  O  O14  1  0.750  0.750  0.250  1.0
  O  O15  1  0.750  0.750  0.750  1.0
[/CIF]
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