The crystal structure described by Al2(CuO2)3 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one O(3) and one O(6) atom. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(2) and one O(5) atom. In the third Cu site, Cu(3) is bonded in a linear geometry to one O(1) and one O(4) atom. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(3), one O(6), two equivalent O(1), and two equivalent O(4) atoms to form edge-sharing AlO6 octahedra. In the second Al site, Al(2) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(6) atoms to form edge-sharing AlO6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Cu(3), one Al(2), and two equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing OAl3Cu tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Cu(2) and two equivalent Al(2) atoms. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one Al(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Cu(3) and two equivalent Al(1) atoms. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cu(2) and one Al(2) atom. In the sixth O site, O(6) is bonded to one Cu(1), one Al(1), and two equivalent Al(2) atoms to form a mixture of distorted corner and edge-sharing OAl3Cu tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al2(CuO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.340
_cell_length_b   2.865
_cell_length_c   7.800
_cell_angle_alpha   79.495
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   249.181
_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
  Al  Al0  1  0.003  1.000  0.008  1.0
  Al  Al1  1  0.996  0.671  0.661  1.0
  Al  Al2  1  0.503  0.000  0.992  1.0
  Al  Al3  1  0.496  0.329  0.339  1.0
  Cu  Cu4  1  0.745  0.896  0.212  1.0
  Cu  Cu5  1  0.749  0.219  0.559  1.0
  Cu  Cu6  1  0.754  0.548  0.902  1.0
  Cu  Cu7  1  0.254  0.452  0.098  1.0
  Cu  Cu8  1  0.249  0.781  0.441  1.0
  Cu  Cu9  1  0.245  0.104  0.788  1.0
  O  O10  1  0.416  0.442  0.109  1.0
  O  O11  1  0.405  0.788  0.417  1.0
  O  O12  1  0.399  0.095  0.803  1.0
  O  O13  1  0.899  0.905  0.197  1.0
  O  O14  1  0.905  0.212  0.583  1.0
  O  O15  1  0.916  0.558  0.891  1.0
  O  O16  1  0.096  0.463  0.084  1.0
  O  O17  1  0.099  0.764  0.471  1.0
  O  O18  1  0.085  0.116  0.773  1.0
  O  O19  1  0.585  0.884  0.227  1.0
  O  O20  1  0.599  0.236  0.529  1.0
  O  O21  1  0.596  0.537  0.916  1.0
[/CIF]
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The crystal structure described by Al2(CuO2)3 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one O(3) and one O(6) atom. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(2) and one O(5) atom. In the third Cu site, Cu(3) is bonded in a linear geometry to one O(1) and one O(4) atom. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(3), one O(6), two equivalent O(1), and two equivalent O(4) atoms to form edge-sharing AlO6 octahedra. In the second Al site, Al(2) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(6) atoms to form edge-sharing AlO6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Cu(3), one Al(2), and two equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing OAl3Cu tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Cu(2) and two equivalent Al(2) atoms. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one Al(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Cu(3) and two equivalent Al(1) atoms. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cu(2) and one Al(2) atom. In the sixth O site, O(6) is bonded to one Cu(1), one Al(1), and two equivalent Al(2) atoms to form a mixture of distorted corner and edge-sharing OAl3Cu tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al2(CuO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.340
_cell_length_b   2.865
_cell_length_c   7.800
_cell_angle_alpha   79.495
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   249.181
_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
  Al  Al0  1  0.003  1.000  0.008  1.0
  Al  Al1  1  0.996  0.671  0.661  1.0
  Al  Al2  1  0.503  0.000  0.992  1.0
  Al  Al3  1  0.496  0.329  0.339  1.0
  Cu  Cu4  1  0.745  0.896  0.212  1.0
  Cu  Cu5  1  0.749  0.219  0.559  1.0
  Cu  Cu6  1  0.754  0.548  0.902  1.0
  Cu  Cu7  1  0.254  0.452  0.098  1.0
  Cu  Cu8  1  0.249  0.781  0.441  1.0
  Cu  Cu9  1  0.245  0.104  0.788  1.0
  O  O10  1  0.416  0.442  0.109  1.0
  O  O11  1  0.405  0.788  0.417  1.0
  O  O12  1  0.399  0.095  0.803  1.0
  O  O13  1  0.899  0.905  0.197  1.0
  O  O14  1  0.905  0.212  0.583  1.0
  O  O15  1  0.916  0.558  0.891  1.0
  O  O16  1  0.096  0.463  0.084  1.0
  O  O17  1  0.099  0.764  0.471  1.0
  O  O18  1  0.085  0.116  0.773  1.0
  O  O19  1  0.585  0.884  0.227  1.0
  O  O20  1  0.599  0.236  0.529  1.0
  O  O21  1  0.596  0.537  0.916  1.0
[/CIF]
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