The crystal structure described by CaPtSi crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 9-coordinate geometry to four equivalent Pt(1) and five equivalent Si(1) atoms. Pt(1) is bonded in a 7-coordinate geometry to four equivalent Ca(1) and three equivalent Si(1) atoms. Si(1) is bonded in a 3-coordinate geometry to five equivalent Ca(1) and three equivalent Pt(1) atoms. is represented by the CIF file [CIF]
data_CaSiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.925
_cell_length_b   5.913
_cell_length_c   7.128
_cell_angle_alpha   109.117
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   235.919
_cell_formula_units_Z   4
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  0.129  0.316  0.113  1.0
  Ca  Ca1  1  0.371  0.816  0.613  1.0
  Ca  Ca2  1  0.871  0.684  0.887  1.0
  Ca  Ca3  1  0.629  0.184  0.387  1.0
  Si  Si4  1  0.624  0.186  0.943  1.0
  Si  Si5  1  0.376  0.814  0.057  1.0
  Si  Si6  1  0.124  0.314  0.557  1.0
  Si  Si7  1  0.876  0.686  0.443  1.0
  Pt  Pt8  1  0.606  0.568  0.191  1.0
  Pt  Pt9  1  0.394  0.432  0.809  1.0
  Pt  Pt10  1  0.894  0.068  0.691  1.0
  Pt  Pt11  1  0.106  0.932  0.309  1.0
[/CIF]
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The crystal structure described by CaPtSi crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 9-coordinate geometry to four equivalent Pt(1) and five equivalent Si(1) atoms. Pt(1) is bonded in a 7-coordinate geometry to four equivalent Ca(1) and three equivalent Si(1) atoms. Si(1) is bonded in a 3-coordinate geometry to five equivalent Ca(1) and three equivalent Pt(1) atoms. is represented by the CIF file [CIF]
data_CaSiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.925
_cell_length_b   5.913
_cell_length_c   7.128
_cell_angle_alpha   109.117
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   235.919
_cell_formula_units_Z   4
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  0.129  0.316  0.113  1.0
  Ca  Ca1  1  0.371  0.816  0.613  1.0
  Ca  Ca2  1  0.871  0.684  0.887  1.0
  Ca  Ca3  1  0.629  0.184  0.387  1.0
  Si  Si4  1  0.624  0.186  0.943  1.0
  Si  Si5  1  0.376  0.814  0.057  1.0
  Si  Si6  1  0.124  0.314  0.557  1.0
  Si  Si7  1  0.876  0.686  0.443  1.0
  Pt  Pt8  1  0.606  0.568  0.191  1.0
  Pt  Pt9  1  0.394  0.432  0.809  1.0
  Pt  Pt10  1  0.894  0.068  0.691  1.0
  Pt  Pt11  1  0.106  0.932  0.309  1.0
[/CIF]
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