The crystal structure described by Zr6Zn23Ge 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 Ge(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 Ge(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 10-coordinate geometry to three equivalent Zr(1), one Zn(4), three equivalent Zn(2), and three equivalent Zn(3) atoms. Ge(1) is bonded to six equivalent Zr(1) atoms to form GeZr6 octahedra that share edges with twelve equivalent Zn(2)Zr4Zn8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr6Zn23Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.700
_cell_length_b   8.700
_cell_length_c   8.700
_cell_angle_alpha   60.001
_cell_angle_beta   60.001
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   465.692
_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  0.715  0.285  0.285  1.0
  Zr  Zr1  1  0.285  0.715  0.715  1.0
  Zr  Zr2  1  0.285  0.715  0.285  1.0
  Zr  Zr3  1  0.715  0.285  0.715  1.0
  Zr  Zr4  1  0.285  0.285  0.715  1.0
  Zr  Zr5  1  0.715  0.715  0.285  1.0
  Zn  Zn6  1  0.124  0.124  0.124  1.0
  Zn  Zn7  1  0.875  0.876  0.876  1.0
  Zn  Zn8  1  0.124  0.125  0.627  1.0
  Zn  Zn9  1  0.124  0.627  0.125  1.0
  Zn  Zn10  1  0.876  0.876  0.373  1.0
  Zn  Zn11  1  0.876  0.373  0.876  1.0
  Zn  Zn12  1  0.627  0.124  0.124  1.0
  Zn  Zn13  1  0.373  0.876  0.876  1.0
  Zn  Zn14  1  0.500  0.000  1.000  1.0
  Zn  Zn15  1  0.000  0.500  0.500  1.0
  Zn  Zn16  1  1.000  0.500  0.000  1.0
  Zn  Zn17  1  0.500  0.000  0.500  1.0
  Zn  Zn18  1  1.000  0.000  0.500  1.0
  Zn  Zn19  1  0.500  0.500  0.000  1.0
  Zn  Zn20  1  0.335  0.335  0.335  1.0
  Zn  Zn21  1  0.665  0.665  0.665  1.0
  Zn  Zn22  1  0.335  0.335  0.995  1.0
  Zn  Zn23  1  0.335  0.995  0.335  1.0
  Zn  Zn24  1  0.665  0.665  0.006  1.0
  Zn  Zn25  1  0.665  0.006  0.665  1.0
  Zn  Zn26  1  0.994  0.335  0.335  1.0
  Zn  Zn27  1  0.005  0.665  0.665  1.0
  Zn  Zn28  1  1.000  0.000  0.000  1.0
  Ge  Ge29  1  0.500  0.500  0.500  1.0
[/CIF]
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The crystal structure described by Zr6Zn23Ge 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 Ge(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 Ge(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 10-coordinate geometry to three equivalent Zr(1), one Zn(4), three equivalent Zn(2), and three equivalent Zn(3) atoms. Ge(1) is bonded to six equivalent Zr(1) atoms to form GeZr6 octahedra that share edges with twelve equivalent Zn(2)Zr4Zn8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr6Zn23Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.700
_cell_length_b   8.700
_cell_length_c   8.700
_cell_angle_alpha   60.001
_cell_angle_beta   60.001
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   465.692
_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  0.715  0.285  0.285  1.0
  Zr  Zr1  1  0.285  0.715  0.715  1.0
  Zr  Zr2  1  0.285  0.715  0.285  1.0
  Zr  Zr3  1  0.715  0.285  0.715  1.0
  Zr  Zr4  1  0.285  0.285  0.715  1.0
  Zr  Zr5  1  0.715  0.715  0.285  1.0
  Zn  Zn6  1  0.124  0.124  0.124  1.0
  Zn  Zn7  1  0.875  0.876  0.876  1.0
  Zn  Zn8  1  0.124  0.125  0.627  1.0
  Zn  Zn9  1  0.124  0.627  0.125  1.0
  Zn  Zn10  1  0.876  0.876  0.373  1.0
  Zn  Zn11  1  0.876  0.373  0.876  1.0
  Zn  Zn12  1  0.627  0.124  0.124  1.0
  Zn  Zn13  1  0.373  0.876  0.876  1.0
  Zn  Zn14  1  0.500  0.000  1.000  1.0
  Zn  Zn15  1  0.000  0.500  0.500  1.0
  Zn  Zn16  1  1.000  0.500  0.000  1.0
  Zn  Zn17  1  0.500  0.000  0.500  1.0
  Zn  Zn18  1  1.000  0.000  0.500  1.0
  Zn  Zn19  1  0.500  0.500  0.000  1.0
  Zn  Zn20  1  0.335  0.335  0.335  1.0
  Zn  Zn21  1  0.665  0.665  0.665  1.0
  Zn  Zn22  1  0.335  0.335  0.995  1.0
  Zn  Zn23  1  0.335  0.995  0.335  1.0
  Zn  Zn24  1  0.665  0.665  0.006  1.0
  Zn  Zn25  1  0.665  0.006  0.665  1.0
  Zn  Zn26  1  0.994  0.335  0.335  1.0
  Zn  Zn27  1  0.005  0.665  0.665  1.0
  Zn  Zn28  1  1.000  0.000  0.000  1.0
  Ge  Ge29  1  0.500  0.500  0.500  1.0
[/CIF]
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