The material described by ZnFe is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. Fe(1) is bonded to four equivalent Fe(1) and eight equivalent Zn(1) atoms to form FeZn8Fe4 cuboctahedra that share corners with twelve equivalent Fe(1)Zn8Fe4 cuboctahedra, edges with eight equivalent Fe(1)Zn8Fe4 cuboctahedra, edges with sixteen equivalent Zn(1)Zn4Fe8 cuboctahedra, faces with eight equivalent Zn(1)Zn4Fe8 cuboctahedra, and faces with ten equivalent Fe(1)Zn8Fe4 cuboctahedra. Zn(1) is bonded to eight equivalent Fe(1) and four equivalent Zn(1) atoms to form ZnZn4Fe8 cuboctahedra that share corners with twelve equivalent Zn(1)Zn4Fe8 cuboctahedra, edges with eight equivalent Zn(1)Zn4Fe8 cuboctahedra, edges with sixteen equivalent Fe(1)Zn8Fe4 cuboctahedra, faces with eight equivalent Fe(1)Zn8Fe4 cuboctahedra, and faces with ten equivalent Zn(1)Zn4Fe8 cuboctahedra. is represented by the CIF card [CIF]
data_ZnFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.542
_cell_length_b   2.542
_cell_length_c   3.870
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   25.000
_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
  Zn  Zn0  1  0.500  0.500  0.500  1.0
  Fe  Fe1  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by ZnFe is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. Fe(1) is bonded to four equivalent Fe(1) and eight equivalent Zn(1) atoms to form FeZn8Fe4 cuboctahedra that share corners with twelve equivalent Fe(1)Zn8Fe4 cuboctahedra, edges with eight equivalent Fe(1)Zn8Fe4 cuboctahedra, edges with sixteen equivalent Zn(1)Zn4Fe8 cuboctahedra, faces with eight equivalent Zn(1)Zn4Fe8 cuboctahedra, and faces with ten equivalent Fe(1)Zn8Fe4 cuboctahedra. Zn(1) is bonded to eight equivalent Fe(1) and four equivalent Zn(1) atoms to form ZnZn4Fe8 cuboctahedra that share corners with twelve equivalent Zn(1)Zn4Fe8 cuboctahedra, edges with eight equivalent Zn(1)Zn4Fe8 cuboctahedra, edges with sixteen equivalent Fe(1)Zn8Fe4 cuboctahedra, faces with eight equivalent Fe(1)Zn8Fe4 cuboctahedra, and faces with ten equivalent Zn(1)Zn4Fe8 cuboctahedra. is represented by the CIF card [CIF]
data_ZnFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.542
_cell_length_b   2.542
_cell_length_c   3.870
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   25.000
_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
  Zn  Zn0  1  0.500  0.500  0.500  1.0
  Fe  Fe1  1  0.000  0.000  0.000  1.0
[/CIF]
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