The crystal structure described by Ca3(IrSi)4 crystallizes in the cubic I-43m space group. Ca(1) is bonded in a 8-coordinate geometry to four equivalent Ir(1) and four equivalent Si(1) atoms. Ir(1) is bonded in a 7-coordinate geometry to three equivalent Ca(1) and four equivalent Si(1) atoms. Si(1) is bonded in a 7-coordinate geometry to three equivalent Ca(1) and four equivalent Ir(1) atoms. is represented by the CIF file [CIF]
data_Ca3(SiIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.436
_cell_length_b   6.436
_cell_length_c   6.436
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   205.226
_cell_formula_units_Z   1
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  0.500  0.500  0.000  1.0
  Ca  Ca1  1  0.000  0.500  0.500  1.0
  Ca  Ca2  1  0.500  0.000  0.500  1.0
  Si  Si3  1  0.000  0.000  0.366  1.0
  Si  Si4  1  0.634  0.634  0.634  1.0
  Si  Si5  1  0.366  0.000  0.000  1.0
  Si  Si6  1  0.000  0.366  0.000  1.0
  Ir  Ir7  1  0.000  0.000  0.722  1.0
  Ir  Ir8  1  0.722  0.000  0.000  1.0
  Ir  Ir9  1  0.278  0.278  0.278  1.0
  Ir  Ir10  1  0.000  0.722  0.000  1.0
[/CIF]
.
The crystal structure described by Ca3(IrSi)4 crystallizes in the cubic I-43m space group. Ca(1) is bonded in a 8-coordinate geometry to four equivalent Ir(1) and four equivalent Si(1) atoms. Ir(1) is bonded in a 7-coordinate geometry to three equivalent Ca(1) and four equivalent Si(1) atoms. Si(1) is bonded in a 7-coordinate geometry to three equivalent Ca(1) and four equivalent Ir(1) atoms. is represented by the CIF file [CIF]
data_Ca3(SiIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.436
_cell_length_b   6.436
_cell_length_c   6.436
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   205.226
_cell_formula_units_Z   1
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  0.500  0.500  0.000  1.0
  Ca  Ca1  1  0.000  0.500  0.500  1.0
  Ca  Ca2  1  0.500  0.000  0.500  1.0
  Si  Si3  1  0.000  0.000  0.366  1.0
  Si  Si4  1  0.634  0.634  0.634  1.0
  Si  Si5  1  0.366  0.000  0.000  1.0
  Si  Si6  1  0.000  0.366  0.000  1.0
  Ir  Ir7  1  0.000  0.000  0.722  1.0
  Ir  Ir8  1  0.722  0.000  0.000  1.0
  Ir  Ir9  1  0.278  0.278  0.278  1.0
  Ir  Ir10  1  0.000  0.722  0.000  1.0
[/CIF]
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