The crystal structure described by Ce2RuZn4 crystallizes in the tetragonal P4/nmm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to twelve equivalent Zn(1) atoms to form a mixture of face and edge-sharing CeZn12 cuboctahedra. In the second Ce site, Ce(2) is bonded in a distorted linear geometry to two equivalent Ru(1) and eight equivalent Zn(1) atoms. Ru(1) is bonded in a 10-coordinate geometry to two equivalent Ce(2) and eight equivalent Zn(1) atoms. Zn(1) is bonded in a 10-coordinate geometry to two equivalent Ce(2), three equivalent Ce(1), two equivalent Ru(1), and three equivalent Zn(1) atoms. is represented by the CIF file [CIF]
data_Ce2Zn4Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.174
_cell_length_b   7.144
_cell_length_c   7.144
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   264.121
_cell_formula_units_Z   2
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  0.783  0.250  0.250  1.0
  Ce  Ce1  1  0.000  0.750  0.250  1.0
  Ce  Ce2  1  0.217  0.750  0.750  1.0
  Ce  Ce3  1  0.000  0.250  0.750  1.0
  Zn  Zn4  1  0.295  0.433  0.433  1.0
  Zn  Zn5  1  0.295  0.433  0.067  1.0
  Zn  Zn6  1  0.295  0.067  0.067  1.0
  Zn  Zn7  1  0.705  0.933  0.567  1.0
  Zn  Zn8  1  0.295  0.067  0.433  1.0
  Zn  Zn9  1  0.705  0.933  0.933  1.0
  Zn  Zn10  1  0.705  0.567  0.933  1.0
  Zn  Zn11  1  0.705  0.567  0.567  1.0
  Ru  Ru12  1  0.500  0.250  0.750  1.0
  Ru  Ru13  1  0.500  0.750  0.250  1.0
[/CIF]
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The crystal structure described by Ce2RuZn4 crystallizes in the tetragonal P4/nmm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to twelve equivalent Zn(1) atoms to form a mixture of face and edge-sharing CeZn12 cuboctahedra. In the second Ce site, Ce(2) is bonded in a distorted linear geometry to two equivalent Ru(1) and eight equivalent Zn(1) atoms. Ru(1) is bonded in a 10-coordinate geometry to two equivalent Ce(2) and eight equivalent Zn(1) atoms. Zn(1) is bonded in a 10-coordinate geometry to two equivalent Ce(2), three equivalent Ce(1), two equivalent Ru(1), and three equivalent Zn(1) atoms. is represented by the CIF file [CIF]
data_Ce2Zn4Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.174
_cell_length_b   7.144
_cell_length_c   7.144
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   264.121
_cell_formula_units_Z   2
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  0.783  0.250  0.250  1.0
  Ce  Ce1  1  0.000  0.750  0.250  1.0
  Ce  Ce2  1  0.217  0.750  0.750  1.0
  Ce  Ce3  1  0.000  0.250  0.750  1.0
  Zn  Zn4  1  0.295  0.433  0.433  1.0
  Zn  Zn5  1  0.295  0.433  0.067  1.0
  Zn  Zn6  1  0.295  0.067  0.067  1.0
  Zn  Zn7  1  0.705  0.933  0.567  1.0
  Zn  Zn8  1  0.295  0.067  0.433  1.0
  Zn  Zn9  1  0.705  0.933  0.933  1.0
  Zn  Zn10  1  0.705  0.567  0.933  1.0
  Zn  Zn11  1  0.705  0.567  0.567  1.0
  Ru  Ru12  1  0.500  0.250  0.750  1.0
  Ru  Ru13  1  0.500  0.750  0.250  1.0
[/CIF]
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