The structure described by Cu2Al4O7 crystallizes in the cubic F-43m space group. The structure consists of four 7440-50-8 atoms inside a CuAl4O7 framework. In the CuAl4O7 framework, Cu(2) is bonded to six equivalent O(2) atoms to form CuO6 octahedra that share corners with twelve equivalent Al(1)O4 tetrahedra. Al(1) is bonded to one O(1) and three equivalent O(2) atoms to form AlO4 tetrahedra that share corners with three equivalent Cu(2)O6 octahedra and corners with six equivalent Al(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a tetrahedral geometry to four equivalent Al(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Cu(2) and two equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al4Cu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.994
_cell_length_b   5.994
_cell_length_c   5.994
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   152.305
_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
  Al  Al0  1  0.620  0.620  0.141  1.0
  Al  Al1  1  0.620  0.141  0.620  1.0
  Al  Al2  1  0.141  0.620  0.620  1.0
  Al  Al3  1  0.620  0.620  0.620  1.0
  Cu  Cu4  1  0.250  0.250  0.250  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.750  0.750  0.750  1.0
  O  O7  1  0.741  0.741  0.259  1.0
  O  O8  1  0.259  0.259  0.741  1.0
  O  O9  1  0.741  0.259  0.741  1.0
  O  O10  1  0.259  0.741  0.741  1.0
  O  O11  1  0.741  0.259  0.259  1.0
  O  O12  1  0.259  0.741  0.259  1.0
[/CIF]
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The structure described by Cu2Al4O7 crystallizes in the cubic F-43m space group. The structure consists of four 7440-50-8 atoms inside a CuAl4O7 framework. In the CuAl4O7 framework, Cu(2) is bonded to six equivalent O(2) atoms to form CuO6 octahedra that share corners with twelve equivalent Al(1)O4 tetrahedra. Al(1) is bonded to one O(1) and three equivalent O(2) atoms to form AlO4 tetrahedra that share corners with three equivalent Cu(2)O6 octahedra and corners with six equivalent Al(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a tetrahedral geometry to four equivalent Al(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Cu(2) and two equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al4Cu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.994
_cell_length_b   5.994
_cell_length_c   5.994
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   152.305
_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
  Al  Al0  1  0.620  0.620  0.141  1.0
  Al  Al1  1  0.620  0.141  0.620  1.0
  Al  Al2  1  0.141  0.620  0.620  1.0
  Al  Al3  1  0.620  0.620  0.620  1.0
  Cu  Cu4  1  0.250  0.250  0.250  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.750  0.750  0.750  1.0
  O  O7  1  0.741  0.741  0.259  1.0
  O  O8  1  0.259  0.259  0.741  1.0
  O  O9  1  0.741  0.259  0.741  1.0
  O  O10  1  0.259  0.741  0.741  1.0
  O  O11  1  0.741  0.259  0.259  1.0
  O  O12  1  0.259  0.741  0.259  1.0
[/CIF]
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