The crystal structure described by CeMnPdSi2 crystallizes in the tetragonal I-4m2 space group. Ce(1) is bonded in a 16-coordinate geometry to four equivalent Mn(1), four equivalent Pd(1), and eight equivalent Si(1) atoms. Mn(1) is bonded to four equivalent Ce(1), four equivalent Pd(1), and four equivalent Si(1) atoms to form distorted MnCe4Si4Pd4 tetrahedra that share corners with four equivalent Pd(1)Ce4Mn4Si4 cuboctahedra, corners with twelve equivalent Mn(1)Ce4Si4Pd4 tetrahedra, edges with two equivalent Pd(1)Ce4Mn4Si4 cuboctahedra, faces with four equivalent Pd(1)Ce4Mn4Si4 cuboctahedra, and faces with four equivalent Mn(1)Ce4Si4Pd4 tetrahedra. Pd(1) is bonded to four equivalent Ce(1), four equivalent Mn(1), and four equivalent Si(1) atoms to form distorted PdCe4Mn4Si4 cuboctahedra that share corners with twelve equivalent Pd(1)Ce4Mn4Si4 cuboctahedra, corners with four equivalent Mn(1)Ce4Si4Pd4 tetrahedra, edges with two equivalent Mn(1)Ce4Si4Pd4 tetrahedra, faces with four equivalent Pd(1)Ce4Mn4Si4 cuboctahedra, and faces with four equivalent Mn(1)Ce4Si4Pd4 tetrahedra. Si(1) is bonded in a 9-coordinate geometry to four equivalent Ce(1), two equivalent Mn(1), two equivalent Pd(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_CeMnSi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.744
_cell_length_b   5.744
_cell_length_c   5.744
_cell_angle_alpha   138.175
_cell_angle_beta   138.175
_cell_angle_gamma   60.635
_symmetry_Int_Tables_number   1
_cell_volume   83.351
_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
  Ce  Ce0  1  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.750  0.250  0.500  1.0
  Si  Si2  1  0.625  0.625  0.000  1.0
  Si  Si3  1  0.375  0.375  0.000  1.0
  Pd  Pd4  1  0.250  0.750  0.500  1.0
[/CIF]
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The crystal structure described by CeMnPdSi2 crystallizes in the tetragonal I-4m2 space group. Ce(1) is bonded in a 16-coordinate geometry to four equivalent Mn(1), four equivalent Pd(1), and eight equivalent Si(1) atoms. Mn(1) is bonded to four equivalent Ce(1), four equivalent Pd(1), and four equivalent Si(1) atoms to form distorted MnCe4Si4Pd4 tetrahedra that share corners with four equivalent Pd(1)Ce4Mn4Si4 cuboctahedra, corners with twelve equivalent Mn(1)Ce4Si4Pd4 tetrahedra, edges with two equivalent Pd(1)Ce4Mn4Si4 cuboctahedra, faces with four equivalent Pd(1)Ce4Mn4Si4 cuboctahedra, and faces with four equivalent Mn(1)Ce4Si4Pd4 tetrahedra. Pd(1) is bonded to four equivalent Ce(1), four equivalent Mn(1), and four equivalent Si(1) atoms to form distorted PdCe4Mn4Si4 cuboctahedra that share corners with twelve equivalent Pd(1)Ce4Mn4Si4 cuboctahedra, corners with four equivalent Mn(1)Ce4Si4Pd4 tetrahedra, edges with two equivalent Mn(1)Ce4Si4Pd4 tetrahedra, faces with four equivalent Pd(1)Ce4Mn4Si4 cuboctahedra, and faces with four equivalent Mn(1)Ce4Si4Pd4 tetrahedra. Si(1) is bonded in a 9-coordinate geometry to four equivalent Ce(1), two equivalent Mn(1), two equivalent Pd(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_CeMnSi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.744
_cell_length_b   5.744
_cell_length_c   5.744
_cell_angle_alpha   138.175
_cell_angle_beta   138.175
_cell_angle_gamma   60.635
_symmetry_Int_Tables_number   1
_cell_volume   83.351
_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
  Ce  Ce0  1  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.750  0.250  0.500  1.0
  Si  Si2  1  0.625  0.625  0.000  1.0
  Si  Si3  1  0.375  0.375  0.000  1.0
  Pd  Pd4  1  0.250  0.750  0.500  1.0
[/CIF]
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