The material described by Er6Zn23Ge crystallizes in the cubic Fm-3m space group. Er(1) is bonded in a distorted single-bond geometry to four equivalent Zn(1), four equivalent Zn(2), four equivalent Zn(4), and one Ge(1) atom. There are four inequivalent Zn sites. In the first Zn site, Zn(2) is bonded to four equivalent Er(1), four equivalent Zn(1), and four equivalent Zn(4) atoms to form ZnEr4Zn8 cuboctahedra that share corners with four equivalent Zn(2)Er4Zn8 cuboctahedra, edges with two equivalent Ge(1)Er6 octahedra, and faces with eight equivalent Zn(2)Er4Zn8 cuboctahedra. In the second Zn site, Zn(3) is bonded in a body-centered cubic geometry to eight equivalent Zn(1) atoms. In the third Zn site, Zn(4) is bonded in a 12-coordinate geometry to three equivalent Er(1), three equivalent Zn(1), three equivalent Zn(2), and three equivalent Zn(4) atoms. In the fourth Zn site, Zn(1) is bonded in a 10-coordinate geometry to three equivalent Er(1), one Zn(3), three equivalent Zn(2), and three equivalent Zn(4) atoms. Ge(1) is bonded to six equivalent Er(1) atoms to form GeEr6 octahedra that share edges with twelve equivalent Zn(2)Er4Zn8 cuboctahedra. is represented by the CIF card [CIF]
data_Er6Zn23Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.022
_cell_length_b   9.022
_cell_length_c   9.022
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   519.186
_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
  Er  Er0  1  0.715  0.285  0.285  1.0
  Er  Er1  1  0.715  0.285  0.715  1.0
  Er  Er2  1  0.715  0.715  0.285  1.0
  Er  Er3  1  0.285  0.715  0.715  1.0
  Er  Er4  1  0.285  0.715  0.285  1.0
  Er  Er5  1  0.285  0.285  0.715  1.0
  Zn  Zn6  1  0.623  0.126  0.126  1.0
  Zn  Zn7  1  0.126  0.623  0.126  1.0
  Zn  Zn8  1  0.126  0.126  0.623  1.0
  Zn  Zn9  1  0.126  0.126  0.126  1.0
  Zn  Zn10  1  0.377  0.874  0.874  1.0
  Zn  Zn11  1  0.874  0.377  0.874  1.0
  Zn  Zn12  1  0.874  0.874  0.377  1.0
  Zn  Zn13  1  0.874  0.874  0.874  1.0
  Zn  Zn14  1  0.500  0.000  0.000  1.0
  Zn  Zn15  1  0.500  0.000  0.500  1.0
  Zn  Zn16  1  0.500  0.500  0.000  1.0
  Zn  Zn17  1  0.000  0.500  0.500  1.0
  Zn  Zn18  1  0.000  0.500  0.000  1.0
  Zn  Zn19  1  0.000  0.000  0.500  1.0
  Zn  Zn20  1  0.000  0.000  0.000  1.0
  Zn  Zn21  1  0.005  0.332  0.332  1.0
  Zn  Zn22  1  0.332  0.005  0.332  1.0
  Zn  Zn23  1  0.332  0.332  0.005  1.0
  Zn  Zn24  1  0.332  0.332  0.332  1.0
  Zn  Zn25  1  0.995  0.668  0.668  1.0
  Zn  Zn26  1  0.668  0.995  0.668  1.0
  Zn  Zn27  1  0.668  0.668  0.995  1.0
  Zn  Zn28  1  0.668  0.668  0.668  1.0
  Ge  Ge29  1  0.500  0.500  0.500  1.0
[/CIF]
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The material described by Er6Zn23Ge crystallizes in the cubic Fm-3m space group. Er(1) is bonded in a distorted single-bond geometry to four equivalent Zn(1), four equivalent Zn(2), four equivalent Zn(4), and one Ge(1) atom. There are four inequivalent Zn sites. In the first Zn site, Zn(2) is bonded to four equivalent Er(1), four equivalent Zn(1), and four equivalent Zn(4) atoms to form ZnEr4Zn8 cuboctahedra that share corners with four equivalent Zn(2)Er4Zn8 cuboctahedra, edges with two equivalent Ge(1)Er6 octahedra, and faces with eight equivalent Zn(2)Er4Zn8 cuboctahedra. In the second Zn site, Zn(3) is bonded in a body-centered cubic geometry to eight equivalent Zn(1) atoms. In the third Zn site, Zn(4) is bonded in a 12-coordinate geometry to three equivalent Er(1), three equivalent Zn(1), three equivalent Zn(2), and three equivalent Zn(4) atoms. In the fourth Zn site, Zn(1) is bonded in a 10-coordinate geometry to three equivalent Er(1), one Zn(3), three equivalent Zn(2), and three equivalent Zn(4) atoms. Ge(1) is bonded to six equivalent Er(1) atoms to form GeEr6 octahedra that share edges with twelve equivalent Zn(2)Er4Zn8 cuboctahedra. is represented by the CIF card [CIF]
data_Er6Zn23Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.022
_cell_length_b   9.022
_cell_length_c   9.022
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   519.186
_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
  Er  Er0  1  0.715  0.285  0.285  1.0
  Er  Er1  1  0.715  0.285  0.715  1.0
  Er  Er2  1  0.715  0.715  0.285  1.0
  Er  Er3  1  0.285  0.715  0.715  1.0
  Er  Er4  1  0.285  0.715  0.285  1.0
  Er  Er5  1  0.285  0.285  0.715  1.0
  Zn  Zn6  1  0.623  0.126  0.126  1.0
  Zn  Zn7  1  0.126  0.623  0.126  1.0
  Zn  Zn8  1  0.126  0.126  0.623  1.0
  Zn  Zn9  1  0.126  0.126  0.126  1.0
  Zn  Zn10  1  0.377  0.874  0.874  1.0
  Zn  Zn11  1  0.874  0.377  0.874  1.0
  Zn  Zn12  1  0.874  0.874  0.377  1.0
  Zn  Zn13  1  0.874  0.874  0.874  1.0
  Zn  Zn14  1  0.500  0.000  0.000  1.0
  Zn  Zn15  1  0.500  0.000  0.500  1.0
  Zn  Zn16  1  0.500  0.500  0.000  1.0
  Zn  Zn17  1  0.000  0.500  0.500  1.0
  Zn  Zn18  1  0.000  0.500  0.000  1.0
  Zn  Zn19  1  0.000  0.000  0.500  1.0
  Zn  Zn20  1  0.000  0.000  0.000  1.0
  Zn  Zn21  1  0.005  0.332  0.332  1.0
  Zn  Zn22  1  0.332  0.005  0.332  1.0
  Zn  Zn23  1  0.332  0.332  0.005  1.0
  Zn  Zn24  1  0.332  0.332  0.332  1.0
  Zn  Zn25  1  0.995  0.668  0.668  1.0
  Zn  Zn26  1  0.668  0.995  0.668  1.0
  Zn  Zn27  1  0.668  0.668  0.995  1.0
  Zn  Zn28  1  0.668  0.668  0.668  1.0
  Ge  Ge29  1  0.500  0.500  0.500  1.0
[/CIF]
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