The compound described by Ba4CuZn2Ge20 crystallizes in the orthorhombic Ama2 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 20-coordinate geometry to one Ge(10), one Ge(11), one Ge(12), one Ge(7), two equivalent Ge(1), two equivalent Ge(2), two equivalent Ge(3), two equivalent Ge(4), two equivalent Ge(5), two equivalent Ge(6), two equivalent Ge(8), and two equivalent Ge(9) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to two equivalent Ge(5), two equivalent Ge(6), two equivalent Ge(8), and two equivalent Ge(9) atoms. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to two equivalent Ge(10), two equivalent Ge(11), two equivalent Ge(12), and two equivalent Ge(7) atoms. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to two equivalent Ge(5), two equivalent Ge(6), two equivalent Ge(8), and two equivalent Ge(9) atoms. Cu(1) is bonded in a tetrahedral geometry to one Ge(11), one Ge(7), and two equivalent Ge(5) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a tetrahedral geometry to two equivalent Ge(6) and two equivalent Ge(9) atoms. In the second Zn site, Zn(2) is bonded in a tetrahedral geometry to one Ge(10), one Ge(12), and two equivalent Ge(8) atoms. There are twelve inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ge(1), one Ge(5), one Ge(6), and one Ge(7) atom. In the second Ge site, Ge(2) is bonded in a 5-coordinate geometry to one Ba(1), one Ge(10), one Ge(2), one Ge(8), and one Ge(9) atom. In the third Ge site, Ge(3) is bonded in a 5-coordinate geometry to one Ba(1), one Ge(11), one Ge(4), one Ge(6), and one Ge(8) atom. In the fourth Ge site, Ge(4) is bonded in a 5-coordinate geometry to one Ba(1), one Ge(12), one Ge(3), one Ge(5), and one Ge(9) atom. In the fifth Ge site, Ge(5) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), one Cu(1), one Ge(1), and one Ge(4) atom. In the sixth Ge site, Ge(6) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), one Zn(1), one Ge(1), and one Ge(3) atom. In the seventh Ge site, Ge(7) is bonded in a 1-coordinate geometry to one Ba(1), two equivalent Ba(3), one Cu(1), and two equivalent Ge(1) atoms. In the eighth Ge site, Ge(8) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), one Zn(2), one Ge(2), and one Ge(3) atom. In the ninth Ge site, Ge(9) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), one Zn(1), one Ge(2), and one Ge(4) atom. In the tenth Ge site, Ge(10) is bonded in a 1-coordinate geometry to one Ba(1), two equivalent Ba(3), one Zn(2), and two equivalent Ge(2) atoms. In the eleventh Ge site, Ge(11) is bonded in a 1-coordinate geometry to one Ba(1), two equivalent Ba(3), one Cu(1), and two equivalent Ge(3) atoms. In the twelfth Ge site, Ge(12) is bonded in a 1-coordinate geometry to one Ba(1), two equivalent Ba(3), one Zn(2), and two equivalent Ge(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4Zn2CuGe20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.867
_cell_length_b   10.867
_cell_length_c   10.872
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.996
_symmetry_Int_Tables_number   1
_cell_volume   1283.867
_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
  Ba  Ba0  1  0.499  0.501  0.500  1.0
  Ba  Ba1  1  0.001  0.999  0.000  1.0
  Ba  Ba2  1  0.498  0.748  0.000  1.0
  Ba  Ba3  1  0.248  0.998  0.500  1.0
  Ba  Ba4  1  0.002  0.502  0.750  1.0
  Ba  Ba5  1  0.498  0.252  0.000  1.0
  Ba  Ba6  1  0.752  0.998  0.500  1.0
  Ba  Ba7  1  0.002  0.502  0.250  1.0
  Zn  Zn8  1  0.500  0.000  0.750  1.0
  Zn  Zn9  1  1.000  0.250  0.500  1.0
  Zn  Zn10  1  0.750  0.500  0.000  1.0
  Zn  Zn11  1  0.500  0.000  0.250  1.0
  Cu  Cu12  1  1.000  0.750  0.500  1.0
  Cu  Cu13  1  0.250  0.500  0.000  1.0
  Ge  Ge14  1  0.317  0.683  0.684  1.0
  Ge  Ge15  1  0.684  0.316  0.316  1.0
  Ge  Ge16  1  0.684  0.316  0.684  1.0
  Ge  Ge17  1  0.317  0.683  0.316  1.0
  Ge  Ge18  1  0.684  0.683  0.316  1.0
  Ge  Ge19  1  0.317  0.316  0.684  1.0
  Ge  Ge20  1  0.317  0.316  0.316  1.0
  Ge  Ge21  1  0.684  0.683  0.684  1.0
  Ge  Ge22  1  0.183  0.817  0.184  1.0
  Ge  Ge23  1  0.816  0.184  0.816  1.0
  Ge  Ge24  1  0.816  0.184  0.184  1.0
  Ge  Ge25  1  0.183  0.817  0.816  1.0
  Ge  Ge26  1  0.183  0.184  0.816  1.0
  Ge  Ge27  1  0.816  0.817  0.184  1.0
  Ge  Ge28  1  0.816  0.817  0.816  1.0
  Ge  Ge29  1  0.183  0.184  0.184  1.0
  Ge  Ge30  1  0.378  0.500  0.816  1.0
  Ge  Ge31  1  0.500  0.811  0.618  1.0
  Ge  Ge32  1  0.184  0.622  0.500  1.0
  Ge  Ge33  1  0.617  0.500  0.190  1.0
  Ge  Ge34  1  0.500  0.189  0.382  1.0
  Ge  Ge35  1  0.810  0.383  0.500  1.0
  Ge  Ge36  1  0.617  0.500  0.810  1.0
  Ge  Ge37  1  0.500  0.189  0.618  1.0
  Ge  Ge38  1  0.378  0.500  0.184  1.0
  Ge  Ge39  1  0.500  0.811  0.382  1.0
  Ge  Ge40  1  0.816  0.621  0.500  1.0
  Ge  Ge41  1  0.190  0.383  0.500  1.0
  Ge  Ge42  1  1.000  0.878  0.316  1.0
  Ge  Ge43  1  0.311  0.000  0.118  1.0
  Ge  Ge44  1  0.122  0.684  0.000  1.0
  Ge  Ge45  1  1.000  0.117  0.690  1.0
  Ge  Ge46  1  0.689  0.000  0.882  1.0
  Ge  Ge47  1  0.883  0.310  0.000  1.0
  Ge  Ge48  1  1.000  0.117  0.310  1.0
  Ge  Ge49  1  0.689  0.000  0.118  1.0
  Ge  Ge50  1  1.000  0.878  0.684  1.0
  Ge  Ge51  1  0.311  0.000  0.882  1.0
  Ge  Ge52  1  0.121  0.316  0.000  1.0
  Ge  Ge53  1  0.883  0.690  0.000  1.0
[/CIF]
.
The compound described by Ba4CuZn2Ge20 crystallizes in the orthorhombic Ama2 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 20-coordinate geometry to one Ge(10), one Ge(11), one Ge(12), one Ge(7), two equivalent Ge(1), two equivalent Ge(2), two equivalent Ge(3), two equivalent Ge(4), two equivalent Ge(5), two equivalent Ge(6), two equivalent Ge(8), and two equivalent Ge(9) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to two equivalent Ge(5), two equivalent Ge(6), two equivalent Ge(8), and two equivalent Ge(9) atoms. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to two equivalent Ge(10), two equivalent Ge(11), two equivalent Ge(12), and two equivalent Ge(7) atoms. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to two equivalent Ge(5), two equivalent Ge(6), two equivalent Ge(8), and two equivalent Ge(9) atoms. Cu(1) is bonded in a tetrahedral geometry to one Ge(11), one Ge(7), and two equivalent Ge(5) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a tetrahedral geometry to two equivalent Ge(6) and two equivalent Ge(9) atoms. In the second Zn site, Zn(2) is bonded in a tetrahedral geometry to one Ge(10), one Ge(12), and two equivalent Ge(8) atoms. There are twelve inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ge(1), one Ge(5), one Ge(6), and one Ge(7) atom. In the second Ge site, Ge(2) is bonded in a 5-coordinate geometry to one Ba(1), one Ge(10), one Ge(2), one Ge(8), and one Ge(9) atom. In the third Ge site, Ge(3) is bonded in a 5-coordinate geometry to one Ba(1), one Ge(11), one Ge(4), one Ge(6), and one Ge(8) atom. In the fourth Ge site, Ge(4) is bonded in a 5-coordinate geometry to one Ba(1), one Ge(12), one Ge(3), one Ge(5), and one Ge(9) atom. In the fifth Ge site, Ge(5) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), one Cu(1), one Ge(1), and one Ge(4) atom. In the sixth Ge site, Ge(6) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), one Zn(1), one Ge(1), and one Ge(3) atom. In the seventh Ge site, Ge(7) is bonded in a 1-coordinate geometry to one Ba(1), two equivalent Ba(3), one Cu(1), and two equivalent Ge(1) atoms. In the eighth Ge site, Ge(8) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), one Zn(2), one Ge(2), and one Ge(3) atom. In the ninth Ge site, Ge(9) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), one Zn(1), one Ge(2), and one Ge(4) atom. In the tenth Ge site, Ge(10) is bonded in a 1-coordinate geometry to one Ba(1), two equivalent Ba(3), one Zn(2), and two equivalent Ge(2) atoms. In the eleventh Ge site, Ge(11) is bonded in a 1-coordinate geometry to one Ba(1), two equivalent Ba(3), one Cu(1), and two equivalent Ge(3) atoms. In the twelfth Ge site, Ge(12) is bonded in a 1-coordinate geometry to one Ba(1), two equivalent Ba(3), one Zn(2), and two equivalent Ge(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4Zn2CuGe20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.867
_cell_length_b   10.867
_cell_length_c   10.872
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.996
_symmetry_Int_Tables_number   1
_cell_volume   1283.867
_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
  Ba  Ba0  1  0.499  0.501  0.500  1.0
  Ba  Ba1  1  0.001  0.999  0.000  1.0
  Ba  Ba2  1  0.498  0.748  0.000  1.0
  Ba  Ba3  1  0.248  0.998  0.500  1.0
  Ba  Ba4  1  0.002  0.502  0.750  1.0
  Ba  Ba5  1  0.498  0.252  0.000  1.0
  Ba  Ba6  1  0.752  0.998  0.500  1.0
  Ba  Ba7  1  0.002  0.502  0.250  1.0
  Zn  Zn8  1  0.500  0.000  0.750  1.0
  Zn  Zn9  1  1.000  0.250  0.500  1.0
  Zn  Zn10  1  0.750  0.500  0.000  1.0
  Zn  Zn11  1  0.500  0.000  0.250  1.0
  Cu  Cu12  1  1.000  0.750  0.500  1.0
  Cu  Cu13  1  0.250  0.500  0.000  1.0
  Ge  Ge14  1  0.317  0.683  0.684  1.0
  Ge  Ge15  1  0.684  0.316  0.316  1.0
  Ge  Ge16  1  0.684  0.316  0.684  1.0
  Ge  Ge17  1  0.317  0.683  0.316  1.0
  Ge  Ge18  1  0.684  0.683  0.316  1.0
  Ge  Ge19  1  0.317  0.316  0.684  1.0
  Ge  Ge20  1  0.317  0.316  0.316  1.0
  Ge  Ge21  1  0.684  0.683  0.684  1.0
  Ge  Ge22  1  0.183  0.817  0.184  1.0
  Ge  Ge23  1  0.816  0.184  0.816  1.0
  Ge  Ge24  1  0.816  0.184  0.184  1.0
  Ge  Ge25  1  0.183  0.817  0.816  1.0
  Ge  Ge26  1  0.183  0.184  0.816  1.0
  Ge  Ge27  1  0.816  0.817  0.184  1.0
  Ge  Ge28  1  0.816  0.817  0.816  1.0
  Ge  Ge29  1  0.183  0.184  0.184  1.0
  Ge  Ge30  1  0.378  0.500  0.816  1.0
  Ge  Ge31  1  0.500  0.811  0.618  1.0
  Ge  Ge32  1  0.184  0.622  0.500  1.0
  Ge  Ge33  1  0.617  0.500  0.190  1.0
  Ge  Ge34  1  0.500  0.189  0.382  1.0
  Ge  Ge35  1  0.810  0.383  0.500  1.0
  Ge  Ge36  1  0.617  0.500  0.810  1.0
  Ge  Ge37  1  0.500  0.189  0.618  1.0
  Ge  Ge38  1  0.378  0.500  0.184  1.0
  Ge  Ge39  1  0.500  0.811  0.382  1.0
  Ge  Ge40  1  0.816  0.621  0.500  1.0
  Ge  Ge41  1  0.190  0.383  0.500  1.0
  Ge  Ge42  1  1.000  0.878  0.316  1.0
  Ge  Ge43  1  0.311  0.000  0.118  1.0
  Ge  Ge44  1  0.122  0.684  0.000  1.0
  Ge  Ge45  1  1.000  0.117  0.690  1.0
  Ge  Ge46  1  0.689  0.000  0.882  1.0
  Ge  Ge47  1  0.883  0.310  0.000  1.0
  Ge  Ge48  1  1.000  0.117  0.310  1.0
  Ge  Ge49  1  0.689  0.000  0.118  1.0
  Ge  Ge50  1  1.000  0.878  0.684  1.0
  Ge  Ge51  1  0.311  0.000  0.882  1.0
  Ge  Ge52  1  0.121  0.316  0.000  1.0
  Ge  Ge53  1  0.883  0.690  0.000  1.0
[/CIF]
.