The material described by MnZn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mn(1) is bonded to twelve equivalent Zn(1) atoms to form MnZn12 cuboctahedra that share corners with six equivalent Mn(1)Zn12 cuboctahedra, corners with twelve equivalent Zn(1)Mn4Zn8 cuboctahedra, edges with eighteen equivalent Zn(1)Mn4Zn8 cuboctahedra, faces with eight equivalent Mn(1)Zn12 cuboctahedra, and faces with twelve equivalent Zn(1)Mn4Zn8 cuboctahedra. Zn(1) is bonded to four equivalent Mn(1) and eight equivalent Zn(1) atoms to form ZnMn4Zn8 cuboctahedra that share corners with four equivalent Mn(1)Zn12 cuboctahedra, corners with fourteen equivalent Zn(1)Mn4Zn8 cuboctahedra, edges with six equivalent Mn(1)Zn12 cuboctahedra, edges with twelve equivalent Zn(1)Mn4Zn8 cuboctahedra, faces with four equivalent Mn(1)Zn12 cuboctahedra, and faces with sixteen equivalent Zn(1)Mn4Zn8 cuboctahedra. is represented by the CIF card [CIF]
data_MnZn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.473
_cell_length_b   5.473
_cell_length_c   4.351
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   112.843
_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
  Mn  Mn0  1  0.667  0.333  0.250  1.0
  Mn  Mn1  1  0.333  0.667  0.750  1.0
  Zn  Zn2  1  0.832  0.168  0.750  1.0
  Zn  Zn3  1  0.337  0.168  0.750  1.0
  Zn  Zn4  1  0.832  0.663  0.750  1.0
  Zn  Zn5  1  0.168  0.832  0.250  1.0
  Zn  Zn6  1  0.663  0.832  0.250  1.0
  Zn  Zn7  1  0.168  0.337  0.250  1.0
[/CIF]
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The material described by MnZn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mn(1) is bonded to twelve equivalent Zn(1) atoms to form MnZn12 cuboctahedra that share corners with six equivalent Mn(1)Zn12 cuboctahedra, corners with twelve equivalent Zn(1)Mn4Zn8 cuboctahedra, edges with eighteen equivalent Zn(1)Mn4Zn8 cuboctahedra, faces with eight equivalent Mn(1)Zn12 cuboctahedra, and faces with twelve equivalent Zn(1)Mn4Zn8 cuboctahedra. Zn(1) is bonded to four equivalent Mn(1) and eight equivalent Zn(1) atoms to form ZnMn4Zn8 cuboctahedra that share corners with four equivalent Mn(1)Zn12 cuboctahedra, corners with fourteen equivalent Zn(1)Mn4Zn8 cuboctahedra, edges with six equivalent Mn(1)Zn12 cuboctahedra, edges with twelve equivalent Zn(1)Mn4Zn8 cuboctahedra, faces with four equivalent Mn(1)Zn12 cuboctahedra, and faces with sixteen equivalent Zn(1)Mn4Zn8 cuboctahedra. is represented by the CIF card [CIF]
data_MnZn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.473
_cell_length_b   5.473
_cell_length_c   4.351
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   112.843
_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
  Mn  Mn0  1  0.667  0.333  0.250  1.0
  Mn  Mn1  1  0.333  0.667  0.750  1.0
  Zn  Zn2  1  0.832  0.168  0.750  1.0
  Zn  Zn3  1  0.337  0.168  0.750  1.0
  Zn  Zn4  1  0.832  0.663  0.750  1.0
  Zn  Zn5  1  0.168  0.832  0.250  1.0
  Zn  Zn6  1  0.663  0.832  0.250  1.0
  Zn  Zn7  1  0.168  0.337  0.250  1.0
[/CIF]
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