The material described by Ca5Pt3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to two equivalent Pt(2) and four equivalent Pt(1) atoms. In the second Ca site, Ca(2) is bonded to four equivalent Pt(1) atoms to form distorted edge-sharing CaPt4 tetrahedra. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 10-coordinate geometry to two equivalent Ca(2) and eight equivalent Ca(1) atoms. In the second Pt site, Pt(2) is bonded in a 8-coordinate geometry to eight equivalent Ca(1) atoms. is represented by the CIF card [CIF]
data_Ca5Pt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.615
_cell_length_b   8.615
_cell_length_c   8.615
_cell_angle_alpha   96.865
_cell_angle_beta   96.865
_cell_angle_gamma   139.549
_symmetry_Int_Tables_number   1
_cell_volume   389.318
_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  0.711  0.583  0.294  1.0
  Ca  Ca1  1  0.289  0.417  0.706  1.0
  Ca  Ca2  1  0.789  0.083  0.872  1.0
  Ca  Ca3  1  0.211  0.917  0.128  1.0
  Ca  Ca4  1  0.583  0.289  0.872  1.0
  Ca  Ca5  1  0.417  0.711  0.128  1.0
  Ca  Ca6  1  0.083  0.211  0.294  1.0
  Ca  Ca7  1  0.917  0.789  0.706  1.0
  Ca  Ca8  1  0.750  0.250  0.500  1.0
  Ca  Ca9  1  0.250  0.750  0.500  1.0
  Pt  Pt10  1  0.156  0.656  0.811  1.0
  Pt  Pt11  1  0.844  0.344  0.189  1.0
  Pt  Pt12  1  0.344  0.156  0.500  1.0
  Pt  Pt13  1  0.656  0.844  0.500  1.0
  Pt  Pt14  1  0.250  0.250  0.000  1.0
  Pt  Pt15  1  0.750  0.750  0.000  1.0
[/CIF]
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The material described by Ca5Pt3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to two equivalent Pt(2) and four equivalent Pt(1) atoms. In the second Ca site, Ca(2) is bonded to four equivalent Pt(1) atoms to form distorted edge-sharing CaPt4 tetrahedra. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 10-coordinate geometry to two equivalent Ca(2) and eight equivalent Ca(1) atoms. In the second Pt site, Pt(2) is bonded in a 8-coordinate geometry to eight equivalent Ca(1) atoms. is represented by the CIF card [CIF]
data_Ca5Pt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.615
_cell_length_b   8.615
_cell_length_c   8.615
_cell_angle_alpha   96.865
_cell_angle_beta   96.865
_cell_angle_gamma   139.549
_symmetry_Int_Tables_number   1
_cell_volume   389.318
_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  0.711  0.583  0.294  1.0
  Ca  Ca1  1  0.289  0.417  0.706  1.0
  Ca  Ca2  1  0.789  0.083  0.872  1.0
  Ca  Ca3  1  0.211  0.917  0.128  1.0
  Ca  Ca4  1  0.583  0.289  0.872  1.0
  Ca  Ca5  1  0.417  0.711  0.128  1.0
  Ca  Ca6  1  0.083  0.211  0.294  1.0
  Ca  Ca7  1  0.917  0.789  0.706  1.0
  Ca  Ca8  1  0.750  0.250  0.500  1.0
  Ca  Ca9  1  0.250  0.750  0.500  1.0
  Pt  Pt10  1  0.156  0.656  0.811  1.0
  Pt  Pt11  1  0.844  0.344  0.189  1.0
  Pt  Pt12  1  0.344  0.156  0.500  1.0
  Pt  Pt13  1  0.656  0.844  0.500  1.0
  Pt  Pt14  1  0.250  0.250  0.000  1.0
  Pt  Pt15  1  0.750  0.750  0.000  1.0
[/CIF]
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