The crystal structure described by Li13Zn11Ge12 crystallizes in the hexagonal P-6m2 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a hexagonal planar geometry to three equivalent Zn(5) and three equivalent Ge(5) atoms. In the second Li site, Li(2) is bonded in a hexagonal planar geometry to three equivalent Zn(6) and three equivalent Ge(6) atoms. In the third Li site, Li(3,4) is bonded in a distorted trigonal planar geometry to three equivalent Ge(7) atoms. In the fourth Li site, Li(5) is bonded in a distorted hexagonal planar geometry to three equivalent Zn(3) and three equivalent Ge(3) atoms. In the fifth Li site, Li(6) is bonded in a distorted hexagonal planar geometry to three equivalent Zn(2) and three equivalent Ge(2) atoms. In the sixth Li site, Li(7) is bonded in a distorted hexagonal planar geometry to three equivalent Zn(1) and three equivalent Ge(1) atoms. In the seventh Li site, Li(8) is bonded in a distorted hexagonal planar geometry to three equivalent Zn(4) and three equivalent Ge(4) atoms. There are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to three equivalent Li(7), one Ge(5), and three equivalent Ge(1) atoms to form distorted ZnLi3Ge4 hexagonal pyramids that share  a cornercorner with one Zn(3)Li3Ge4 hexagonal pyramid, corners with three equivalent Ge(1)Li3Zn3Ge hexagonal pyramids, edges with three equivalent Ge(1)Li3Zn3Ge hexagonal pyramids, and edges with six equivalent Zn(1)Li3Ge4 hexagonal pyramids. In the second Zn site, Zn(2) is bonded to three equivalent Li(6), one Ge(6), and three equivalent Ge(2) atoms to form distorted ZnLi3Ge4 hexagonal pyramids that share  a cornercorner with one Zn(2)Li3Ge4 hexagonal pyramid, corners with three equivalent Ge(2)Li3Zn3Ge hexagonal pyramids, corners with three equivalent Ge(3)Li3Zn3Ge hexagonal pyramids, edges with three equivalent Ge(2)Li3Zn3Ge hexagonal pyramids, and edges with six equivalent Zn(2)Li3Ge4 hexagonal pyramids. In the third Zn site, Zn(3) is bonded to three equivalent Li(5), one Ge(5), and three equivalent Ge(3) atoms to form distorted ZnLi3Ge4 hexagonal pyramids that share  a cornercorner with one Zn(1)Li3Ge4 hexagonal pyramid, corners with three equivalent Ge(2)Li3Zn3Ge hexagonal pyramids, corners with three equivalent Ge(3)Li3Zn3Ge hexagonal pyramids, edges with three equivalent Ge(3)Li3Zn3Ge hexagonal pyramids, and edges with six equivalent Zn(3)Li3Ge4 hexagonal pyramids. In the fourth Zn site, Zn(4) is bonded to three equivalent Li(8), one Ge(7), and three equivalent Ge(4) atoms to form distorted ZnLi3Ge4 hexagonal pyramids that share  a cornercorner with one Zn(4)Li3Ge4 hexagonal pyramid, corners with three equivalent Ge(1)Li3Zn3Ge hexagonal pyramids, and edges with six equivalent Zn(4)Li3Ge4 hexagonal pyramids. In the fifth Zn site, Zn(5) is bonded in a hexagonal planar geometry to three equivalent Li(1) and three equivalent Ge(5) atoms. In the sixth Zn site, Zn(6) is bonded in a hexagonal planar geometry to three equivalent Li(2) and three equivalent Ge(6) atoms. There are seven inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to three equivalent Li(7), three equivalent Zn(1), and one Ge(4) atom to form distorted GeLi3Zn3Ge hexagonal pyramids that share corners with three equivalent Ge(5)Li3Zn5 hexagonal bipyramids, corners with three equivalent Zn(1)Li3Ge4 hexagonal pyramids, corners with three equivalent Zn(4)Li3Ge4 hexagonal pyramids, edges with three equivalent Zn(1)Li3Ge4 hexagonal pyramids, and edges with six equivalent Ge(1)Li3Zn3Ge hexagonal pyramids. In the second Ge site, Ge(2) is bonded to three equivalent Li(6), three equivalent Zn(2), and one Ge(3) atom to form distorted GeLi3Zn3Ge hexagonal pyramids that share corners with three equivalent Ge(6)Li3Zn5 hexagonal bipyramids, corners with three equivalent Zn(2)Li3Ge4 hexagonal pyramids, corners with three equivalent Zn(3)Li3Ge4 hexagonal pyramids, edges with three equivalent Zn(2)Li3Ge4 hexagonal pyramids, and edges with six equivalent Ge(2)Li3Zn3Ge hexagonal pyramids. In the third Ge site, Ge(3) is bonded to three equivalent Li(5), three equivalent Zn(3), and one Ge(2) atom to form distorted GeLi3Zn3Ge hexagonal pyramids that share corners with three equivalent Ge(5)Li3Zn5 hexagonal bipyramids, corners with three equivalent Zn(2)Li3Ge4 hexagonal pyramids, corners with three equivalent Zn(3)Li3Ge4 hexagonal pyramids, edges with three equivalent Zn(3)Li3Ge4 hexagonal pyramids, and edges with six equivalent Ge(3)Li3Zn3Ge hexagonal pyramids. In the fourth Ge site, Ge(4) is bonded in a 7-coordinate geometry to three equivalent Li(8), three equivalent Zn(4), and one Ge(1) atom. In the fifth Ge site, Ge(5) is bonded to three equivalent Li(1), one Zn(1), one Zn(3), and three equivalent Zn(5) atoms to form GeLi3Zn5 hexagonal bipyramids that share corners with three equivalent Ge(1)Li3Zn3Ge hexagonal pyramids, corners with three equivalent Ge(3)Li3Zn3Ge hexagonal pyramids, and edges with six equivalent Ge(5)Li3Zn5 hexagonal bipyramids. In the sixth Ge site, Ge(6) is bonded to three equivalent Li(2), two equivalent Zn(2), and three equivalent Zn(6) atoms to form GeLi3Zn5 hexagonal bipyramids that share corners with six equivalent Ge(2)Li3Zn3Ge hexagonal pyramids and edges with six equivalent Ge(6)Li3Zn5 hexagonal bipyramids. In the seventh Ge site, Ge(7) is bonded to six equivalent Li(3,4) and two equivalent Zn(4) atoms to form edge-sharing GeLi6Zn2 hexagonal bipyramids. is represented by the CIF file [CIF]
data_Li13Zn11Ge12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.471
_cell_length_b   4.471
_cell_length_c   37.734
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   653.328
_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
  Li  Li0  1  0.000  0.000  0.750  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  Li  Li2  1  0.000  0.000  0.250  1.0
  Li  Li3  1  0.000  0.000  0.000  1.0
  Li  Li4  1  0.667  0.333  0.000  1.0
  Li  Li5  1  0.000  0.000  0.666  1.0
  Li  Li6  1  0.000  0.000  0.416  1.0
  Li  Li7  1  0.000  0.000  0.166  1.0
  Li  Li8  1  0.000  0.000  0.919  1.0
  Li  Li9  1  0.000  0.000  0.834  1.0
  Li  Li10  1  0.000  0.000  0.584  1.0
  Li  Li11  1  0.000  0.000  0.334  1.0
  Li  Li12  1  0.000  0.000  0.081  1.0
  Zn  Zn13  1  0.333  0.667  0.821  1.0
  Zn  Zn14  1  0.333  0.667  0.571  1.0
  Zn  Zn15  1  0.333  0.667  0.321  1.0
  Zn  Zn16  1  0.333  0.667  0.067  1.0
  Zn  Zn17  1  0.333  0.667  0.679  1.0
  Zn  Zn18  1  0.333  0.667  0.429  1.0
  Zn  Zn19  1  0.333  0.667  0.179  1.0
  Zn  Zn20  1  0.333  0.667  0.933  1.0
  Zn  Zn21  1  0.667  0.333  0.749  1.0
  Zn  Zn22  1  0.667  0.333  0.500  1.0
  Zn  Zn23  1  0.667  0.333  0.251  1.0
  Ge  Ge24  1  0.667  0.333  0.842  1.0
  Ge  Ge25  1  0.667  0.333  0.592  1.0
  Ge  Ge26  1  0.667  0.333  0.341  1.0
  Ge  Ge27  1  0.667  0.333  0.091  1.0
  Ge  Ge28  1  0.667  0.333  0.659  1.0
  Ge  Ge29  1  0.667  0.333  0.408  1.0
  Ge  Ge30  1  0.667  0.333  0.158  1.0
  Ge  Ge31  1  0.667  0.333  0.909  1.0
  Ge  Ge32  1  0.333  0.667  0.750  1.0
  Ge  Ge33  1  0.333  0.667  0.500  1.0
  Ge  Ge34  1  0.333  0.667  0.250  1.0
  Ge  Ge35  1  0.333  0.667  0.000  1.0
[/CIF]
.
The crystal structure described by Li13Zn11Ge12 crystallizes in the hexagonal P-6m2 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a hexagonal planar geometry to three equivalent Zn(5) and three equivalent Ge(5) atoms. In the second Li site, Li(2) is bonded in a hexagonal planar geometry to three equivalent Zn(6) and three equivalent Ge(6) atoms. In the third Li site, Li(3,4) is bonded in a distorted trigonal planar geometry to three equivalent Ge(7) atoms. In the fourth Li site, Li(5) is bonded in a distorted hexagonal planar geometry to three equivalent Zn(3) and three equivalent Ge(3) atoms. In the fifth Li site, Li(6) is bonded in a distorted hexagonal planar geometry to three equivalent Zn(2) and three equivalent Ge(2) atoms. In the sixth Li site, Li(7) is bonded in a distorted hexagonal planar geometry to three equivalent Zn(1) and three equivalent Ge(1) atoms. In the seventh Li site, Li(8) is bonded in a distorted hexagonal planar geometry to three equivalent Zn(4) and three equivalent Ge(4) atoms. There are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to three equivalent Li(7), one Ge(5), and three equivalent Ge(1) atoms to form distorted ZnLi3Ge4 hexagonal pyramids that share  a cornercorner with one Zn(3)Li3Ge4 hexagonal pyramid, corners with three equivalent Ge(1)Li3Zn3Ge hexagonal pyramids, edges with three equivalent Ge(1)Li3Zn3Ge hexagonal pyramids, and edges with six equivalent Zn(1)Li3Ge4 hexagonal pyramids. In the second Zn site, Zn(2) is bonded to three equivalent Li(6), one Ge(6), and three equivalent Ge(2) atoms to form distorted ZnLi3Ge4 hexagonal pyramids that share  a cornercorner with one Zn(2)Li3Ge4 hexagonal pyramid, corners with three equivalent Ge(2)Li3Zn3Ge hexagonal pyramids, corners with three equivalent Ge(3)Li3Zn3Ge hexagonal pyramids, edges with three equivalent Ge(2)Li3Zn3Ge hexagonal pyramids, and edges with six equivalent Zn(2)Li3Ge4 hexagonal pyramids. In the third Zn site, Zn(3) is bonded to three equivalent Li(5), one Ge(5), and three equivalent Ge(3) atoms to form distorted ZnLi3Ge4 hexagonal pyramids that share  a cornercorner with one Zn(1)Li3Ge4 hexagonal pyramid, corners with three equivalent Ge(2)Li3Zn3Ge hexagonal pyramids, corners with three equivalent Ge(3)Li3Zn3Ge hexagonal pyramids, edges with three equivalent Ge(3)Li3Zn3Ge hexagonal pyramids, and edges with six equivalent Zn(3)Li3Ge4 hexagonal pyramids. In the fourth Zn site, Zn(4) is bonded to three equivalent Li(8), one Ge(7), and three equivalent Ge(4) atoms to form distorted ZnLi3Ge4 hexagonal pyramids that share  a cornercorner with one Zn(4)Li3Ge4 hexagonal pyramid, corners with three equivalent Ge(1)Li3Zn3Ge hexagonal pyramids, and edges with six equivalent Zn(4)Li3Ge4 hexagonal pyramids. In the fifth Zn site, Zn(5) is bonded in a hexagonal planar geometry to three equivalent Li(1) and three equivalent Ge(5) atoms. In the sixth Zn site, Zn(6) is bonded in a hexagonal planar geometry to three equivalent Li(2) and three equivalent Ge(6) atoms. There are seven inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to three equivalent Li(7), three equivalent Zn(1), and one Ge(4) atom to form distorted GeLi3Zn3Ge hexagonal pyramids that share corners with three equivalent Ge(5)Li3Zn5 hexagonal bipyramids, corners with three equivalent Zn(1)Li3Ge4 hexagonal pyramids, corners with three equivalent Zn(4)Li3Ge4 hexagonal pyramids, edges with three equivalent Zn(1)Li3Ge4 hexagonal pyramids, and edges with six equivalent Ge(1)Li3Zn3Ge hexagonal pyramids. In the second Ge site, Ge(2) is bonded to three equivalent Li(6), three equivalent Zn(2), and one Ge(3) atom to form distorted GeLi3Zn3Ge hexagonal pyramids that share corners with three equivalent Ge(6)Li3Zn5 hexagonal bipyramids, corners with three equivalent Zn(2)Li3Ge4 hexagonal pyramids, corners with three equivalent Zn(3)Li3Ge4 hexagonal pyramids, edges with three equivalent Zn(2)Li3Ge4 hexagonal pyramids, and edges with six equivalent Ge(2)Li3Zn3Ge hexagonal pyramids. In the third Ge site, Ge(3) is bonded to three equivalent Li(5), three equivalent Zn(3), and one Ge(2) atom to form distorted GeLi3Zn3Ge hexagonal pyramids that share corners with three equivalent Ge(5)Li3Zn5 hexagonal bipyramids, corners with three equivalent Zn(2)Li3Ge4 hexagonal pyramids, corners with three equivalent Zn(3)Li3Ge4 hexagonal pyramids, edges with three equivalent Zn(3)Li3Ge4 hexagonal pyramids, and edges with six equivalent Ge(3)Li3Zn3Ge hexagonal pyramids. In the fourth Ge site, Ge(4) is bonded in a 7-coordinate geometry to three equivalent Li(8), three equivalent Zn(4), and one Ge(1) atom. In the fifth Ge site, Ge(5) is bonded to three equivalent Li(1), one Zn(1), one Zn(3), and three equivalent Zn(5) atoms to form GeLi3Zn5 hexagonal bipyramids that share corners with three equivalent Ge(1)Li3Zn3Ge hexagonal pyramids, corners with three equivalent Ge(3)Li3Zn3Ge hexagonal pyramids, and edges with six equivalent Ge(5)Li3Zn5 hexagonal bipyramids. In the sixth Ge site, Ge(6) is bonded to three equivalent Li(2), two equivalent Zn(2), and three equivalent Zn(6) atoms to form GeLi3Zn5 hexagonal bipyramids that share corners with six equivalent Ge(2)Li3Zn3Ge hexagonal pyramids and edges with six equivalent Ge(6)Li3Zn5 hexagonal bipyramids. In the seventh Ge site, Ge(7) is bonded to six equivalent Li(3,4) and two equivalent Zn(4) atoms to form edge-sharing GeLi6Zn2 hexagonal bipyramids. is represented by the CIF file [CIF]
data_Li13Zn11Ge12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.471
_cell_length_b   4.471
_cell_length_c   37.734
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   653.328
_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
  Li  Li0  1  0.000  0.000  0.750  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  Li  Li2  1  0.000  0.000  0.250  1.0
  Li  Li3  1  0.000  0.000  0.000  1.0
  Li  Li4  1  0.667  0.333  0.000  1.0
  Li  Li5  1  0.000  0.000  0.666  1.0
  Li  Li6  1  0.000  0.000  0.416  1.0
  Li  Li7  1  0.000  0.000  0.166  1.0
  Li  Li8  1  0.000  0.000  0.919  1.0
  Li  Li9  1  0.000  0.000  0.834  1.0
  Li  Li10  1  0.000  0.000  0.584  1.0
  Li  Li11  1  0.000  0.000  0.334  1.0
  Li  Li12  1  0.000  0.000  0.081  1.0
  Zn  Zn13  1  0.333  0.667  0.821  1.0
  Zn  Zn14  1  0.333  0.667  0.571  1.0
  Zn  Zn15  1  0.333  0.667  0.321  1.0
  Zn  Zn16  1  0.333  0.667  0.067  1.0
  Zn  Zn17  1  0.333  0.667  0.679  1.0
  Zn  Zn18  1  0.333  0.667  0.429  1.0
  Zn  Zn19  1  0.333  0.667  0.179  1.0
  Zn  Zn20  1  0.333  0.667  0.933  1.0
  Zn  Zn21  1  0.667  0.333  0.749  1.0
  Zn  Zn22  1  0.667  0.333  0.500  1.0
  Zn  Zn23  1  0.667  0.333  0.251  1.0
  Ge  Ge24  1  0.667  0.333  0.842  1.0
  Ge  Ge25  1  0.667  0.333  0.592  1.0
  Ge  Ge26  1  0.667  0.333  0.341  1.0
  Ge  Ge27  1  0.667  0.333  0.091  1.0
  Ge  Ge28  1  0.667  0.333  0.659  1.0
  Ge  Ge29  1  0.667  0.333  0.408  1.0
  Ge  Ge30  1  0.667  0.333  0.158  1.0
  Ge  Ge31  1  0.667  0.333  0.909  1.0
  Ge  Ge32  1  0.333  0.667  0.750  1.0
  Ge  Ge33  1  0.333  0.667  0.500  1.0
  Ge  Ge34  1  0.333  0.667  0.250  1.0
  Ge  Ge35  1  0.333  0.667  0.000  1.0
[/CIF]
.