The material described by Lu(CuO2)2 crystallizes in the tetragonal I4_1/a space group. Lu(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to two equivalent Lu(1) and two equivalent Cu(1) atoms to form a mixture of edge and corner-sharing OLu2Cu2 tetrahedra. is represented by the CIF card [CIF]
data_Lu(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.140
_cell_length_b   6.140
_cell_length_c   6.140
_cell_angle_alpha   126.379
_cell_angle_beta   126.387
_cell_angle_gamma   79.263
_symmetry_Int_Tables_number   1
_cell_volume   145.042
_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
  Lu  Lu0  1  0.000  1.000  1.000  1.0
  Lu  Lu1  1  0.750  0.250  0.500  1.0
  Cu  Cu2  1  0.875  0.625  0.250  1.0
  Cu  Cu3  1  0.375  0.625  0.750  1.0
  Cu  Cu4  1  0.375  0.125  0.750  1.0
  Cu  Cu5  1  0.375  0.625  0.250  1.0
  O  O6  1  0.405  0.255  0.554  1.0
  O  O7  1  0.049  0.399  0.054  1.0
  O  O8  1  0.005  0.952  0.351  1.0
  O  O9  1  0.149  0.595  0.851  1.0
  O  O10  1  0.601  0.655  0.649  1.0
  O  O11  1  0.745  0.298  0.149  1.0
  O  O12  1  0.701  0.851  0.446  1.0
  O  O13  1  0.345  0.995  0.946  1.0
[/CIF]
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The material described by Lu(CuO2)2 crystallizes in the tetragonal I4_1/a space group. Lu(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to two equivalent Lu(1) and two equivalent Cu(1) atoms to form a mixture of edge and corner-sharing OLu2Cu2 tetrahedra. is represented by the CIF card [CIF]
data_Lu(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.140
_cell_length_b   6.140
_cell_length_c   6.140
_cell_angle_alpha   126.379
_cell_angle_beta   126.387
_cell_angle_gamma   79.263
_symmetry_Int_Tables_number   1
_cell_volume   145.042
_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
  Lu  Lu0  1  0.000  1.000  1.000  1.0
  Lu  Lu1  1  0.750  0.250  0.500  1.0
  Cu  Cu2  1  0.875  0.625  0.250  1.0
  Cu  Cu3  1  0.375  0.625  0.750  1.0
  Cu  Cu4  1  0.375  0.125  0.750  1.0
  Cu  Cu5  1  0.375  0.625  0.250  1.0
  O  O6  1  0.405  0.255  0.554  1.0
  O  O7  1  0.049  0.399  0.054  1.0
  O  O8  1  0.005  0.952  0.351  1.0
  O  O9  1  0.149  0.595  0.851  1.0
  O  O10  1  0.601  0.655  0.649  1.0
  O  O11  1  0.745  0.298  0.149  1.0
  O  O12  1  0.701  0.851  0.446  1.0
  O  O13  1  0.345  0.995  0.946  1.0
[/CIF]
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