The material described by Cs6ZnGe8 crystallizes in the orthorhombic Fmm2 space group. There are eight inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to one Ge(5), one Ge(7), two equivalent Ge(2), two equivalent Ge(3), and two equivalent Ge(4) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to one Ge(1), one Ge(2), one Ge(4), one Ge(5), one Ge(6), and one Ge(7) atom. In the third Cs site, Cs(3) is bonded in a 8-coordinate geometry to one Ge(2), one Ge(3), one Ge(6), two equivalent Ge(1), and three equivalent Ge(4) atoms. In the fourth Cs site, Cs(4) is bonded in a 6-coordinate geometry to two equivalent Ge(3), two equivalent Ge(5), and two equivalent Ge(6) atoms. In the fifth Cs site, Cs(5) is bonded in a 9-coordinate geometry to one Zn(2), two equivalent Ge(1), two equivalent Ge(2), two equivalent Ge(6), and two equivalent Ge(7) atoms. In the sixth Cs site, Cs(6) is bonded in a 9-coordinate geometry to one Zn(2), four equivalent Ge(3), and four equivalent Ge(6) atoms. In the seventh Cs site, Cs(7) is bonded in a 2-coordinate geometry to two equivalent Ge(7), four equivalent Ge(2), and four equivalent Ge(3) atoms. In the eighth Cs site, Cs(8) is bonded in a 2-coordinate geometry to two equivalent Ge(2), two equivalent Ge(3), two equivalent Ge(6), and four equivalent Ge(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. In the second Zn site, Zn(2) is bonded in a 9-coordinate geometry to one Cs(6), two equivalent Cs(5), two equivalent Ge(7), and four equivalent Ge(6) atoms. There are seven inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 10-coordinate geometry to one Cs(2), one Cs(5), two equivalent Cs(3), two equivalent Cs(8), one Zn(1), one Ge(2), one Ge(3), and one Ge(4) atom. In the second Ge site, Ge(2) is bonded in a 10-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), one Cs(5), one Cs(7), one Cs(8), one Zn(1), one Ge(1), one Ge(3), and one Ge(4) atom. In the third Ge site, Ge(3) is bonded in a 10-coordinate geometry to one Cs(1), one Cs(3), one Cs(4), one Cs(6), one Cs(7), one Cs(8), one Zn(1), one Ge(1), one Ge(2), and one Ge(4) atom. In the fourth Ge site, Ge(4) is bonded in a 8-coordinate geometry to one Cs(1), one Cs(2), three equivalent Cs(3), one Ge(1), one Ge(2), and one Ge(3) atom. In the fifth Ge site, Ge(5) is bonded in a 8-coordinate geometry to one Cs(1), two equivalent Cs(2), two equivalent Cs(4), one Ge(7), and two equivalent Ge(6) atoms. In the sixth Ge site, Ge(6) is bonded in a 10-coordinate geometry to one Cs(2), one Cs(3), one Cs(4), one Cs(5), one Cs(6), one Cs(8), one Zn(2), one Ge(5), one Ge(6), and one Ge(7) atom. In the seventh Ge site, Ge(7) is bonded in a 10-coordinate geometry to one Cs(1), one Cs(7), two equivalent Cs(2), two equivalent Cs(5), one Zn(2), one Ge(5), and two equivalent Ge(6) atoms. is represented by the CIF card [CIF]
data_Cs6ZnGe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.348
_cell_length_b   13.472
_cell_length_c   12.891
_cell_angle_alpha   76.612
_cell_angle_beta   53.292
_cell_angle_gamma   50.096
_symmetry_Int_Tables_number   1
_cell_volume   1692.000
_cell_formula_units_Z   3
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
  Cs  Cs0  1  0.606  0.056  0.394  1.0
  Cs  Cs1  1  0.558  0.804  0.152  1.0
  Cs  Cs2  1  0.225  0.433  0.156  1.0
  Cs  Cs3  1  0.272  0.095  0.728  1.0
  Cs  Cs4  1  0.848  0.514  0.442  1.0
  Cs  Cs5  1  0.678  0.322  0.616  1.0
  Cs  Cs6  1  0.905  0.728  0.095  1.0
  Cs  Cs7  1  0.089  0.911  0.911  1.0
  Cs  Cs8  1  0.758  0.242  0.242  1.0
  Cs  Cs9  1  0.011  0.989  0.617  1.0
  Cs  Cs10  1  0.844  0.815  0.775  1.0
  Cs  Cs11  1  0.383  0.617  0.989  1.0
  Cs  Cs12  1  0.185  0.156  0.433  1.0
  Cs  Cs13  1  0.486  0.152  0.804  1.0
  Cs  Cs14  1  0.944  0.394  0.056  1.0
  Cs  Cs15  1  0.196  0.442  0.514  1.0
  Cs  Cs16  1  0.384  0.616  0.322  1.0
  Cs  Cs17  1  0.567  0.775  0.815  1.0
  Zn  Zn18  1  0.049  0.951  0.284  1.0
  Zn  Zn19  1  0.386  0.614  0.614  1.0
  Zn  Zn20  1  0.716  0.284  0.951  1.0
  Ge  Ge21  1  0.257  0.929  0.202  1.0
  Ge  Ge22  1  0.829  0.983  0.487  1.0
  Ge  Ge23  1  0.941  0.246  0.835  1.0
  Ge  Ge24  1  0.873  0.767  0.462  1.0
  Ge  Ge25  1  0.204  0.437  0.796  1.0
  Ge  Ge26  1  0.170  0.644  0.711  1.0
  Ge  Ge27  1  0.413  0.399  0.587  1.0
  Ge  Ge28  1  0.899  0.462  0.767  1.0
  Ge  Ge29  1  0.754  0.059  0.022  1.0
  Ge  Ge30  1  0.233  0.127  0.101  1.0
  Ge  Ge31  1  0.165  0.022  0.059  1.0
  Ge  Ge32  1  0.538  0.101  0.127  1.0
  Ge  Ge33  1  0.701  0.487  0.983  1.0
  Ge  Ge34  1  0.475  0.711  0.644  1.0
  Ge  Ge35  1  0.798  0.388  0.743  1.0
  Ge  Ge36  1  0.356  0.830  0.525  1.0
  Ge  Ge37  1  0.289  0.525  0.830  1.0
  Ge  Ge38  1  0.612  0.202  0.929  1.0
  Ge  Ge39  1  0.601  0.587  0.399  1.0
  Ge  Ge40  1  0.978  0.835  0.246  1.0
  Ge  Ge41  1  0.563  0.796  0.437  1.0
  Ge  Ge42  1  0.017  0.171  0.299  1.0
  Ge  Ge43  1  0.071  0.743  0.388  1.0
  Ge  Ge44  1  0.513  0.299  0.171  1.0
[/CIF]
.
The material described by Cs6ZnGe8 crystallizes in the orthorhombic Fmm2 space group. There are eight inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to one Ge(5), one Ge(7), two equivalent Ge(2), two equivalent Ge(3), and two equivalent Ge(4) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to one Ge(1), one Ge(2), one Ge(4), one Ge(5), one Ge(6), and one Ge(7) atom. In the third Cs site, Cs(3) is bonded in a 8-coordinate geometry to one Ge(2), one Ge(3), one Ge(6), two equivalent Ge(1), and three equivalent Ge(4) atoms. In the fourth Cs site, Cs(4) is bonded in a 6-coordinate geometry to two equivalent Ge(3), two equivalent Ge(5), and two equivalent Ge(6) atoms. In the fifth Cs site, Cs(5) is bonded in a 9-coordinate geometry to one Zn(2), two equivalent Ge(1), two equivalent Ge(2), two equivalent Ge(6), and two equivalent Ge(7) atoms. In the sixth Cs site, Cs(6) is bonded in a 9-coordinate geometry to one Zn(2), four equivalent Ge(3), and four equivalent Ge(6) atoms. In the seventh Cs site, Cs(7) is bonded in a 2-coordinate geometry to two equivalent Ge(7), four equivalent Ge(2), and four equivalent Ge(3) atoms. In the eighth Cs site, Cs(8) is bonded in a 2-coordinate geometry to two equivalent Ge(2), two equivalent Ge(3), two equivalent Ge(6), and four equivalent Ge(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. In the second Zn site, Zn(2) is bonded in a 9-coordinate geometry to one Cs(6), two equivalent Cs(5), two equivalent Ge(7), and four equivalent Ge(6) atoms. There are seven inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 10-coordinate geometry to one Cs(2), one Cs(5), two equivalent Cs(3), two equivalent Cs(8), one Zn(1), one Ge(2), one Ge(3), and one Ge(4) atom. In the second Ge site, Ge(2) is bonded in a 10-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), one Cs(5), one Cs(7), one Cs(8), one Zn(1), one Ge(1), one Ge(3), and one Ge(4) atom. In the third Ge site, Ge(3) is bonded in a 10-coordinate geometry to one Cs(1), one Cs(3), one Cs(4), one Cs(6), one Cs(7), one Cs(8), one Zn(1), one Ge(1), one Ge(2), and one Ge(4) atom. In the fourth Ge site, Ge(4) is bonded in a 8-coordinate geometry to one Cs(1), one Cs(2), three equivalent Cs(3), one Ge(1), one Ge(2), and one Ge(3) atom. In the fifth Ge site, Ge(5) is bonded in a 8-coordinate geometry to one Cs(1), two equivalent Cs(2), two equivalent Cs(4), one Ge(7), and two equivalent Ge(6) atoms. In the sixth Ge site, Ge(6) is bonded in a 10-coordinate geometry to one Cs(2), one Cs(3), one Cs(4), one Cs(5), one Cs(6), one Cs(8), one Zn(2), one Ge(5), one Ge(6), and one Ge(7) atom. In the seventh Ge site, Ge(7) is bonded in a 10-coordinate geometry to one Cs(1), one Cs(7), two equivalent Cs(2), two equivalent Cs(5), one Zn(2), one Ge(5), and two equivalent Ge(6) atoms. is represented by the CIF card [CIF]
data_Cs6ZnGe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.348
_cell_length_b   13.472
_cell_length_c   12.891
_cell_angle_alpha   76.612
_cell_angle_beta   53.292
_cell_angle_gamma   50.096
_symmetry_Int_Tables_number   1
_cell_volume   1692.000
_cell_formula_units_Z   3
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
  Cs  Cs0  1  0.606  0.056  0.394  1.0
  Cs  Cs1  1  0.558  0.804  0.152  1.0
  Cs  Cs2  1  0.225  0.433  0.156  1.0
  Cs  Cs3  1  0.272  0.095  0.728  1.0
  Cs  Cs4  1  0.848  0.514  0.442  1.0
  Cs  Cs5  1  0.678  0.322  0.616  1.0
  Cs  Cs6  1  0.905  0.728  0.095  1.0
  Cs  Cs7  1  0.089  0.911  0.911  1.0
  Cs  Cs8  1  0.758  0.242  0.242  1.0
  Cs  Cs9  1  0.011  0.989  0.617  1.0
  Cs  Cs10  1  0.844  0.815  0.775  1.0
  Cs  Cs11  1  0.383  0.617  0.989  1.0
  Cs  Cs12  1  0.185  0.156  0.433  1.0
  Cs  Cs13  1  0.486  0.152  0.804  1.0
  Cs  Cs14  1  0.944  0.394  0.056  1.0
  Cs  Cs15  1  0.196  0.442  0.514  1.0
  Cs  Cs16  1  0.384  0.616  0.322  1.0
  Cs  Cs17  1  0.567  0.775  0.815  1.0
  Zn  Zn18  1  0.049  0.951  0.284  1.0
  Zn  Zn19  1  0.386  0.614  0.614  1.0
  Zn  Zn20  1  0.716  0.284  0.951  1.0
  Ge  Ge21  1  0.257  0.929  0.202  1.0
  Ge  Ge22  1  0.829  0.983  0.487  1.0
  Ge  Ge23  1  0.941  0.246  0.835  1.0
  Ge  Ge24  1  0.873  0.767  0.462  1.0
  Ge  Ge25  1  0.204  0.437  0.796  1.0
  Ge  Ge26  1  0.170  0.644  0.711  1.0
  Ge  Ge27  1  0.413  0.399  0.587  1.0
  Ge  Ge28  1  0.899  0.462  0.767  1.0
  Ge  Ge29  1  0.754  0.059  0.022  1.0
  Ge  Ge30  1  0.233  0.127  0.101  1.0
  Ge  Ge31  1  0.165  0.022  0.059  1.0
  Ge  Ge32  1  0.538  0.101  0.127  1.0
  Ge  Ge33  1  0.701  0.487  0.983  1.0
  Ge  Ge34  1  0.475  0.711  0.644  1.0
  Ge  Ge35  1  0.798  0.388  0.743  1.0
  Ge  Ge36  1  0.356  0.830  0.525  1.0
  Ge  Ge37  1  0.289  0.525  0.830  1.0
  Ge  Ge38  1  0.612  0.202  0.929  1.0
  Ge  Ge39  1  0.601  0.587  0.399  1.0
  Ge  Ge40  1  0.978  0.835  0.246  1.0
  Ge  Ge41  1  0.563  0.796  0.437  1.0
  Ge  Ge42  1  0.017  0.171  0.299  1.0
  Ge  Ge43  1  0.071  0.743  0.388  1.0
  Ge  Ge44  1  0.513  0.299  0.171  1.0
[/CIF]
.