The material described by Ce2Cu5Zn2 crystallizes in the trigonal R-3m space group. There are six inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 6-coordinate geometry to three equivalent Cu(2), three equivalent Cu(3), six equivalent Cu(1), and six equivalent Zn(1) atoms. In the second Ce site, Ce(2) is bonded in a 12-coordinate geometry to nine equivalent Cu(1) and three equivalent Zn(2) atoms. In the third Ce site, Ce(1) is bonded in a 6-coordinate geometry to three equivalent Cu(2); three equivalent Cu(3); six equivalent Cu(1); and six Zn(1,1) atoms. In the fourth Ce site, Ce(1) is bonded in a 6-coordinate geometry to three equivalent Cu(2); three equivalent Cu(3); six equivalent Cu(1); and six Zn(1,1) atoms. In the fifth Ce site, Ce(1) is bonded in a 6-coordinate geometry to three equivalent Cu(2); three equivalent Cu(3); six equivalent Cu(1); and six Zn(1,1) atoms. In the sixth Ce site, Ce(1) is bonded in a 6-coordinate geometry to three equivalent Cu(2); three equivalent Cu(3); six equivalent Cu(1); and six Zn(1,1) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Ce(1), three equivalent Ce(2), one Cu(2), one Cu(3), four equivalent Cu(1), and one Zn(2) atom to form distorted CuCe5ZnCu6 cuboctahedra that share corners with two equivalent Zn(2)Ce6Cu6 cuboctahedra; corners with six Zn(1,1)Ce4Zn4Cu4 cuboctahedra; corners with nine equivalent Cu(1)Ce5ZnCu6 cuboctahedra; edges with four equivalent Cu(1)Ce5ZnCu6 cuboctahedra; edges with four equivalent Zn(1)Ce4Zn4Cu4 cuboctahedra;  a faceface with one Zn(1)Ce4Zn4Cu4 cuboctahedra; faces with three equivalent Zn(2)Ce6Cu6 cuboctahedra; and faces with ten equivalent Cu(1)Ce5ZnCu6 cuboctahedra. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to three equivalent Ce(1), three equivalent Cu(1), and three equivalent Zn(1) atoms. In the third Cu site, Cu(3) is bonded in a 9-coordinate geometry to three equivalent Ce(1); three equivalent Cu(1); and three Zn(1,1) atoms. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Ce(1), two equivalent Cu(2), two equivalent Cu(3), and four equivalent Zn(1) atoms to form distorted ZnCe4Zn4Cu4 cuboctahedra that share corners with four equivalent Zn(1)Ce4Zn4Cu4 cuboctahedra, corners with twelve equivalent Cu(1)Ce5ZnCu6 cuboctahedra, edges with two equivalent Zn(1)Ce4Zn4Cu4 cuboctahedra, edges with eight equivalent Cu(1)Ce5ZnCu6 cuboctahedra, faces with two equivalent Cu(1)Ce5ZnCu6 cuboctahedra, and faces with eight equivalent Zn(1)Ce4Zn4Cu4 cuboctahedra. In the second Zn site, Zn(2) is bonded to six equivalent Ce(2) and six equivalent Cu(1) atoms to form ZnCe6Cu6 cuboctahedra that share corners with twelve equivalent Cu(1)Ce5ZnCu6 cuboctahedra, edges with six equivalent Zn(2)Ce6Cu6 cuboctahedra, and faces with eighteen equivalent Cu(1)Ce5ZnCu6 cuboctahedra. In the third Zn site, Zn(1) is bonded to four Ce(1,1); two equivalent Cu(2); two equivalent Cu(3); and four Zn(1,1) atoms to form distorted ZnCe4Zn4Cu4 cuboctahedra that share corners with four equivalent Zn(1)Ce4Zn4Cu4 cuboctahedra; corners with twelve equivalent Cu(1)Ce5ZnCu6 cuboctahedra; edges with two equivalent Zn(1)Ce4Zn4Cu4 cuboctahedra; edges with eight equivalent Cu(1)Ce5ZnCu6 cuboctahedra; faces with two equivalent Cu(1)Ce5ZnCu6 cuboctahedra; and faces with eight Zn(1,1)Ce4Zn4Cu4 cuboctahedra. In the fourth Zn site, Zn(1) is bonded to four Ce(1,1); two equivalent Cu(2); two equivalent Cu(3); and four equivalent Zn(1) atoms to form distorted ZnCe4Zn4Cu4 cuboctahedra that share corners with four equivalent Zn(1)Ce4Zn4Cu4 cuboctahedra, corners with twelve equivalent Cu(1)Ce5ZnCu6 cuboctahedra, edges with two equivalent Zn(1)Ce4Zn4Cu4 cuboctahedra, edges with eight equivalent Cu(1)Ce5ZnCu6 cuboctahedra, faces with two equivalent Cu(1)Ce5ZnCu6 cuboctahedra, and faces with eight equivalent Zn(1)Ce4Zn4Cu4 cuboctahedra. is represented by the CIF card [CIF]
data_Ce2Zn2Cu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.986
_cell_length_b   12.986
_cell_length_c   12.986
_cell_angle_alpha   23.187
_cell_angle_beta   23.187
_cell_angle_gamma   23.187
_symmetry_Int_Tables_number   1
_cell_volume   298.031
_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  0.944  0.944  0.944  1.0
  Ce  Ce1  1  0.152  0.152  0.152  1.0
  Ce  Ce2  1  0.848  0.848  0.848  1.0
  Ce  Ce3  1  0.056  0.056  0.056  1.0
  Zn  Zn4  1  0.000  0.500  0.500  1.0
  Zn  Zn5  1  0.500  0.500  0.500  1.0
  Zn  Zn6  1  0.500  0.500  0.000  1.0
  Zn  Zn7  1  0.500  0.000  0.500  1.0
  Cu  Cu8  1  0.111  0.609  0.609  1.0
  Cu  Cu9  1  0.391  0.889  0.391  1.0
  Cu  Cu10  1  0.609  0.609  0.111  1.0
  Cu  Cu11  1  0.277  0.277  0.277  1.0
  Cu  Cu12  1  0.391  0.391  0.889  1.0
  Cu  Cu13  1  0.889  0.391  0.391  1.0
  Cu  Cu14  1  0.609  0.111  0.609  1.0
  Cu  Cu15  1  0.389  0.389  0.389  1.0
  Cu  Cu16  1  0.723  0.723  0.723  1.0
  Cu  Cu17  1  0.611  0.611  0.611  1.0
[/CIF]
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The material described by Ce2Cu5Zn2 crystallizes in the trigonal R-3m space group. There are six inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 6-coordinate geometry to three equivalent Cu(2), three equivalent Cu(3), six equivalent Cu(1), and six equivalent Zn(1) atoms. In the second Ce site, Ce(2) is bonded in a 12-coordinate geometry to nine equivalent Cu(1) and three equivalent Zn(2) atoms. In the third Ce site, Ce(1) is bonded in a 6-coordinate geometry to three equivalent Cu(2); three equivalent Cu(3); six equivalent Cu(1); and six Zn(1,1) atoms. In the fourth Ce site, Ce(1) is bonded in a 6-coordinate geometry to three equivalent Cu(2); three equivalent Cu(3); six equivalent Cu(1); and six Zn(1,1) atoms. In the fifth Ce site, Ce(1) is bonded in a 6-coordinate geometry to three equivalent Cu(2); three equivalent Cu(3); six equivalent Cu(1); and six Zn(1,1) atoms. In the sixth Ce site, Ce(1) is bonded in a 6-coordinate geometry to three equivalent Cu(2); three equivalent Cu(3); six equivalent Cu(1); and six Zn(1,1) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Ce(1), three equivalent Ce(2), one Cu(2), one Cu(3), four equivalent Cu(1), and one Zn(2) atom to form distorted CuCe5ZnCu6 cuboctahedra that share corners with two equivalent Zn(2)Ce6Cu6 cuboctahedra; corners with six Zn(1,1)Ce4Zn4Cu4 cuboctahedra; corners with nine equivalent Cu(1)Ce5ZnCu6 cuboctahedra; edges with four equivalent Cu(1)Ce5ZnCu6 cuboctahedra; edges with four equivalent Zn(1)Ce4Zn4Cu4 cuboctahedra;  a faceface with one Zn(1)Ce4Zn4Cu4 cuboctahedra; faces with three equivalent Zn(2)Ce6Cu6 cuboctahedra; and faces with ten equivalent Cu(1)Ce5ZnCu6 cuboctahedra. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to three equivalent Ce(1), three equivalent Cu(1), and three equivalent Zn(1) atoms. In the third Cu site, Cu(3) is bonded in a 9-coordinate geometry to three equivalent Ce(1); three equivalent Cu(1); and three Zn(1,1) atoms. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Ce(1), two equivalent Cu(2), two equivalent Cu(3), and four equivalent Zn(1) atoms to form distorted ZnCe4Zn4Cu4 cuboctahedra that share corners with four equivalent Zn(1)Ce4Zn4Cu4 cuboctahedra, corners with twelve equivalent Cu(1)Ce5ZnCu6 cuboctahedra, edges with two equivalent Zn(1)Ce4Zn4Cu4 cuboctahedra, edges with eight equivalent Cu(1)Ce5ZnCu6 cuboctahedra, faces with two equivalent Cu(1)Ce5ZnCu6 cuboctahedra, and faces with eight equivalent Zn(1)Ce4Zn4Cu4 cuboctahedra. In the second Zn site, Zn(2) is bonded to six equivalent Ce(2) and six equivalent Cu(1) atoms to form ZnCe6Cu6 cuboctahedra that share corners with twelve equivalent Cu(1)Ce5ZnCu6 cuboctahedra, edges with six equivalent Zn(2)Ce6Cu6 cuboctahedra, and faces with eighteen equivalent Cu(1)Ce5ZnCu6 cuboctahedra. In the third Zn site, Zn(1) is bonded to four Ce(1,1); two equivalent Cu(2); two equivalent Cu(3); and four Zn(1,1) atoms to form distorted ZnCe4Zn4Cu4 cuboctahedra that share corners with four equivalent Zn(1)Ce4Zn4Cu4 cuboctahedra; corners with twelve equivalent Cu(1)Ce5ZnCu6 cuboctahedra; edges with two equivalent Zn(1)Ce4Zn4Cu4 cuboctahedra; edges with eight equivalent Cu(1)Ce5ZnCu6 cuboctahedra; faces with two equivalent Cu(1)Ce5ZnCu6 cuboctahedra; and faces with eight Zn(1,1)Ce4Zn4Cu4 cuboctahedra. In the fourth Zn site, Zn(1) is bonded to four Ce(1,1); two equivalent Cu(2); two equivalent Cu(3); and four equivalent Zn(1) atoms to form distorted ZnCe4Zn4Cu4 cuboctahedra that share corners with four equivalent Zn(1)Ce4Zn4Cu4 cuboctahedra, corners with twelve equivalent Cu(1)Ce5ZnCu6 cuboctahedra, edges with two equivalent Zn(1)Ce4Zn4Cu4 cuboctahedra, edges with eight equivalent Cu(1)Ce5ZnCu6 cuboctahedra, faces with two equivalent Cu(1)Ce5ZnCu6 cuboctahedra, and faces with eight equivalent Zn(1)Ce4Zn4Cu4 cuboctahedra. is represented by the CIF card [CIF]
data_Ce2Zn2Cu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.986
_cell_length_b   12.986
_cell_length_c   12.986
_cell_angle_alpha   23.187
_cell_angle_beta   23.187
_cell_angle_gamma   23.187
_symmetry_Int_Tables_number   1
_cell_volume   298.031
_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  0.944  0.944  0.944  1.0
  Ce  Ce1  1  0.152  0.152  0.152  1.0
  Ce  Ce2  1  0.848  0.848  0.848  1.0
  Ce  Ce3  1  0.056  0.056  0.056  1.0
  Zn  Zn4  1  0.000  0.500  0.500  1.0
  Zn  Zn5  1  0.500  0.500  0.500  1.0
  Zn  Zn6  1  0.500  0.500  0.000  1.0
  Zn  Zn7  1  0.500  0.000  0.500  1.0
  Cu  Cu8  1  0.111  0.609  0.609  1.0
  Cu  Cu9  1  0.391  0.889  0.391  1.0
  Cu  Cu10  1  0.609  0.609  0.111  1.0
  Cu  Cu11  1  0.277  0.277  0.277  1.0
  Cu  Cu12  1  0.391  0.391  0.889  1.0
  Cu  Cu13  1  0.889  0.391  0.391  1.0
  Cu  Cu14  1  0.609  0.111  0.609  1.0
  Cu  Cu15  1  0.389  0.389  0.389  1.0
  Cu  Cu16  1  0.723  0.723  0.723  1.0
  Cu  Cu17  1  0.611  0.611  0.611  1.0
[/CIF]
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