The structure described by Zr6Zn23Si crystallizes in the cubic Fm-3m space group. Zr(1) is bonded in a distorted single-bond geometry to four equivalent Zn(1), four equivalent Zn(2), four equivalent Zn(3), and one Si(1) atom. There are four inequivalent Zn sites. In the first Zn site, Zn(2) is bonded to four equivalent Zr(1), four equivalent Zn(1), and four equivalent Zn(3) atoms to form ZnZr4Zn8 cuboctahedra that share corners with four equivalent Zn(2)Zr4Zn8 cuboctahedra, edges with two equivalent Si(1)Zr6 octahedra, and faces with eight equivalent Zn(2)Zr4Zn8 cuboctahedra. In the second Zn site, Zn(3) is bonded in a 12-coordinate geometry to three equivalent Zr(1), three equivalent Zn(1), three equivalent Zn(2), and three equivalent Zn(3) atoms. In the third Zn site, Zn(4) is bonded in a body-centered cubic geometry to eight equivalent Zn(1) atoms. In the fourth Zn site, Zn(1) is bonded in a 13-coordinate geometry to three equivalent Zr(1), one Zn(4), three equivalent Zn(1), three equivalent Zn(2), and three equivalent Zn(3) atoms. Si(1) is bonded to six equivalent Zr(1) atoms to form SiZr6 octahedra that share edges with twelve equivalent Zn(2)Zr4Zn8 cuboctahedra. is represented by the CIF file [CIF]
data_Zr6Zn23Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.686
_cell_length_b   8.686
_cell_length_c   8.686
_cell_angle_alpha   59.999
_cell_angle_beta   60.000
_cell_angle_gamma   59.999
_symmetry_Int_Tables_number   1
_cell_volume   463.456
_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
  Zr  Zr0  1  0.712  0.288  0.288  1.0
  Zr  Zr1  1  0.288  0.712  0.712  1.0
  Zr  Zr2  1  0.288  0.712  0.288  1.0
  Zr  Zr3  1  0.712  0.288  0.712  1.0
  Zr  Zr4  1  0.288  0.288  0.712  1.0
  Zr  Zr5  1  0.712  0.712  0.288  1.0
  Zn  Zn6  1  0.124  0.124  0.124  1.0
  Zn  Zn7  1  0.876  0.876  0.876  1.0
  Zn  Zn8  1  0.124  0.124  0.628  1.0
  Zn  Zn9  1  0.124  0.628  0.124  1.0
  Zn  Zn10  1  0.876  0.876  0.372  1.0
  Zn  Zn11  1  0.876  0.372  0.876  1.0
  Zn  Zn12  1  0.628  0.124  0.124  1.0
  Zn  Zn13  1  0.372  0.876  0.876  1.0
  Zn  Zn14  1  0.500  1.000  1.000  1.0
  Zn  Zn15  1  0.000  0.500  0.500  1.0
  Zn  Zn16  1  1.000  0.500  1.000  1.0
  Zn  Zn17  1  0.500  0.000  0.500  1.0
  Zn  Zn18  1  0.000  1.000  0.500  1.0
  Zn  Zn19  1  0.500  0.500  0.000  1.0
  Zn  Zn20  1  0.334  0.334  0.334  1.0
  Zn  Zn21  1  0.666  0.666  0.666  1.0
  Zn  Zn22  1  0.334  0.334  0.997  1.0
  Zn  Zn23  1  0.334  0.997  0.334  1.0
  Zn  Zn24  1  0.666  0.666  0.003  1.0
  Zn  Zn25  1  0.666  0.003  0.666  1.0
  Zn  Zn26  1  0.997  0.334  0.334  1.0
  Zn  Zn27  1  0.003  0.666  0.666  1.0
  Zn  Zn28  1  0.000  1.000  0.000  1.0
  Si  Si29  1  0.500  0.500  0.500  1.0
[/CIF]
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The structure described by Zr6Zn23Si crystallizes in the cubic Fm-3m space group. Zr(1) is bonded in a distorted single-bond geometry to four equivalent Zn(1), four equivalent Zn(2), four equivalent Zn(3), and one Si(1) atom. There are four inequivalent Zn sites. In the first Zn site, Zn(2) is bonded to four equivalent Zr(1), four equivalent Zn(1), and four equivalent Zn(3) atoms to form ZnZr4Zn8 cuboctahedra that share corners with four equivalent Zn(2)Zr4Zn8 cuboctahedra, edges with two equivalent Si(1)Zr6 octahedra, and faces with eight equivalent Zn(2)Zr4Zn8 cuboctahedra. In the second Zn site, Zn(3) is bonded in a 12-coordinate geometry to three equivalent Zr(1), three equivalent Zn(1), three equivalent Zn(2), and three equivalent Zn(3) atoms. In the third Zn site, Zn(4) is bonded in a body-centered cubic geometry to eight equivalent Zn(1) atoms. In the fourth Zn site, Zn(1) is bonded in a 13-coordinate geometry to three equivalent Zr(1), one Zn(4), three equivalent Zn(1), three equivalent Zn(2), and three equivalent Zn(3) atoms. Si(1) is bonded to six equivalent Zr(1) atoms to form SiZr6 octahedra that share edges with twelve equivalent Zn(2)Zr4Zn8 cuboctahedra. is represented by the CIF file [CIF]
data_Zr6Zn23Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.686
_cell_length_b   8.686
_cell_length_c   8.686
_cell_angle_alpha   59.999
_cell_angle_beta   60.000
_cell_angle_gamma   59.999
_symmetry_Int_Tables_number   1
_cell_volume   463.456
_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
  Zr  Zr0  1  0.712  0.288  0.288  1.0
  Zr  Zr1  1  0.288  0.712  0.712  1.0
  Zr  Zr2  1  0.288  0.712  0.288  1.0
  Zr  Zr3  1  0.712  0.288  0.712  1.0
  Zr  Zr4  1  0.288  0.288  0.712  1.0
  Zr  Zr5  1  0.712  0.712  0.288  1.0
  Zn  Zn6  1  0.124  0.124  0.124  1.0
  Zn  Zn7  1  0.876  0.876  0.876  1.0
  Zn  Zn8  1  0.124  0.124  0.628  1.0
  Zn  Zn9  1  0.124  0.628  0.124  1.0
  Zn  Zn10  1  0.876  0.876  0.372  1.0
  Zn  Zn11  1  0.876  0.372  0.876  1.0
  Zn  Zn12  1  0.628  0.124  0.124  1.0
  Zn  Zn13  1  0.372  0.876  0.876  1.0
  Zn  Zn14  1  0.500  1.000  1.000  1.0
  Zn  Zn15  1  0.000  0.500  0.500  1.0
  Zn  Zn16  1  1.000  0.500  1.000  1.0
  Zn  Zn17  1  0.500  0.000  0.500  1.0
  Zn  Zn18  1  0.000  1.000  0.500  1.0
  Zn  Zn19  1  0.500  0.500  0.000  1.0
  Zn  Zn20  1  0.334  0.334  0.334  1.0
  Zn  Zn21  1  0.666  0.666  0.666  1.0
  Zn  Zn22  1  0.334  0.334  0.997  1.0
  Zn  Zn23  1  0.334  0.997  0.334  1.0
  Zn  Zn24  1  0.666  0.666  0.003  1.0
  Zn  Zn25  1  0.666  0.003  0.666  1.0
  Zn  Zn26  1  0.997  0.334  0.334  1.0
  Zn  Zn27  1  0.003  0.666  0.666  1.0
  Zn  Zn28  1  0.000  1.000  0.000  1.0
  Si  Si29  1  0.500  0.500  0.500  1.0
[/CIF]
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