The material described by CaPtSi crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded in a 12-coordinate geometry to six equivalent Pt(1) and six equivalent Si(1) atoms. Pt(1) is bonded in a 10-coordinate geometry to six equivalent Ca(1) and four equivalent Si(1) atoms. Si(1) is bonded in a 10-coordinate geometry to six equivalent Ca(1) and four equivalent Pt(1) atoms. is represented by the CIF file [CIF]
data_CaSiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.373
_cell_length_b   7.174
_cell_length_c   7.260
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   227.739
_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  0.750  0.506  0.811  1.0
  Ca  Ca1  1  0.250  0.994  0.311  1.0
  Ca  Ca2  1  0.750  0.006  0.689  1.0
  Ca  Ca3  1  0.250  0.494  0.189  1.0
  Si  Si4  1  0.250  0.826  0.918  1.0
  Si  Si5  1  0.250  0.326  0.582  1.0
  Si  Si6  1  0.750  0.174  0.082  1.0
  Si  Si7  1  0.750  0.674  0.418  1.0
  Pt  Pt8  1  0.250  0.691  0.597  1.0
  Pt  Pt9  1  0.250  0.191  0.903  1.0
  Pt  Pt10  1  0.750  0.809  0.097  1.0
  Pt  Pt11  1  0.750  0.309  0.403  1.0
[/CIF]
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The material described by CaPtSi crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded in a 12-coordinate geometry to six equivalent Pt(1) and six equivalent Si(1) atoms. Pt(1) is bonded in a 10-coordinate geometry to six equivalent Ca(1) and four equivalent Si(1) atoms. Si(1) is bonded in a 10-coordinate geometry to six equivalent Ca(1) and four equivalent Pt(1) atoms. is represented by the CIF file [CIF]
data_CaSiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.373
_cell_length_b   7.174
_cell_length_c   7.260
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   227.739
_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  0.750  0.506  0.811  1.0
  Ca  Ca1  1  0.250  0.994  0.311  1.0
  Ca  Ca2  1  0.750  0.006  0.689  1.0
  Ca  Ca3  1  0.250  0.494  0.189  1.0
  Si  Si4  1  0.250  0.826  0.918  1.0
  Si  Si5  1  0.250  0.326  0.582  1.0
  Si  Si6  1  0.750  0.174  0.082  1.0
  Si  Si7  1  0.750  0.674  0.418  1.0
  Pt  Pt8  1  0.250  0.691  0.597  1.0
  Pt  Pt9  1  0.250  0.191  0.903  1.0
  Pt  Pt10  1  0.750  0.809  0.097  1.0
  Pt  Pt11  1  0.750  0.309  0.403  1.0
[/CIF]
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