The compound described by CeCoCuSi2 crystallizes in the tetragonal I-4m2 space group. Ce(1) is bonded in a 16-coordinate geometry to four equivalent Co(1), four equivalent Cu(1), and eight equivalent Si(1) atoms. Co(1) is bonded to four equivalent Ce(1), four equivalent Cu(1), and four equivalent Si(1) atoms to form distorted CoCe4Cu4Si4 cuboctahedra that share corners with four equivalent Cu(1)Ce4Co4Si4 cuboctahedra, corners with twelve equivalent Co(1)Ce4Cu4Si4 cuboctahedra, edges with two equivalent Cu(1)Ce4Co4Si4 cuboctahedra, faces with four equivalent Co(1)Ce4Cu4Si4 cuboctahedra, and faces with four equivalent Cu(1)Ce4Co4Si4 cuboctahedra. Cu(1) is bonded to four equivalent Ce(1), four equivalent Co(1), and four equivalent Si(1) atoms to form distorted CuCe4Co4Si4 cuboctahedra that share corners with four equivalent Co(1)Ce4Cu4Si4 cuboctahedra, corners with twelve equivalent Cu(1)Ce4Co4Si4 cuboctahedra, edges with two equivalent Co(1)Ce4Cu4Si4 cuboctahedra, faces with four equivalent Co(1)Ce4Cu4Si4 cuboctahedra, and faces with four equivalent Cu(1)Ce4Co4Si4 cuboctahedra. Si(1) is bonded in a 9-coordinate geometry to four equivalent Ce(1), two equivalent Co(1), two equivalent Cu(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeCoCuSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.651
_cell_length_b   5.651
_cell_length_c   5.651
_cell_angle_alpha   138.049
_cell_angle_beta   138.049
_cell_angle_gamma   60.829
_symmetry_Int_Tables_number   1
_cell_volume   79.751
_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
  Co  Co1  1  0.250  0.750  0.500  1.0
  Cu  Cu2  1  0.750  0.250  0.500  1.0
  Si  Si3  1  0.625  0.625  0.000  1.0
  Si  Si4  1  0.375  0.375  0.000  1.0
[/CIF]
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The compound described by CeCoCuSi2 crystallizes in the tetragonal I-4m2 space group. Ce(1) is bonded in a 16-coordinate geometry to four equivalent Co(1), four equivalent Cu(1), and eight equivalent Si(1) atoms. Co(1) is bonded to four equivalent Ce(1), four equivalent Cu(1), and four equivalent Si(1) atoms to form distorted CoCe4Cu4Si4 cuboctahedra that share corners with four equivalent Cu(1)Ce4Co4Si4 cuboctahedra, corners with twelve equivalent Co(1)Ce4Cu4Si4 cuboctahedra, edges with two equivalent Cu(1)Ce4Co4Si4 cuboctahedra, faces with four equivalent Co(1)Ce4Cu4Si4 cuboctahedra, and faces with four equivalent Cu(1)Ce4Co4Si4 cuboctahedra. Cu(1) is bonded to four equivalent Ce(1), four equivalent Co(1), and four equivalent Si(1) atoms to form distorted CuCe4Co4Si4 cuboctahedra that share corners with four equivalent Co(1)Ce4Cu4Si4 cuboctahedra, corners with twelve equivalent Cu(1)Ce4Co4Si4 cuboctahedra, edges with two equivalent Co(1)Ce4Cu4Si4 cuboctahedra, faces with four equivalent Co(1)Ce4Cu4Si4 cuboctahedra, and faces with four equivalent Cu(1)Ce4Co4Si4 cuboctahedra. Si(1) is bonded in a 9-coordinate geometry to four equivalent Ce(1), two equivalent Co(1), two equivalent Cu(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeCoCuSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.651
_cell_length_b   5.651
_cell_length_c   5.651
_cell_angle_alpha   138.049
_cell_angle_beta   138.049
_cell_angle_gamma   60.829
_symmetry_Int_Tables_number   1
_cell_volume   79.751
_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
  Co  Co1  1  0.250  0.750  0.500  1.0
  Cu  Cu2  1  0.750  0.250  0.500  1.0
  Si  Si3  1  0.625  0.625  0.000  1.0
  Si  Si4  1  0.375  0.375  0.000  1.0
[/CIF]
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