The material structure described by Y2CuO4 crystallizes in the orthorhombic Cmce space group. Y(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Y(1) and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded to four equivalent Y(1) atoms to form a mixture of edge and corner-sharing OY4 tetrahedra. is represented by the CIF file [CIF]
data_Y2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.564
_cell_length_b   6.564
_cell_length_c   5.510
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   130.337
_symmetry_Int_Tables_number   1
_cell_volume   180.957
_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
  Y  Y0  1  0.654  0.346  0.000  1.0
  Y  Y1  1  0.346  0.654  0.000  1.0
  Y  Y2  1  0.846  0.154  0.500  1.0
  Y  Y3  1  0.154  0.846  0.500  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.705  0.705  0.205  1.0
  O  O7  1  0.508  0.008  0.250  1.0
  O  O8  1  0.008  0.508  0.250  1.0
  O  O9  1  0.205  0.205  0.295  1.0
  O  O10  1  0.795  0.795  0.705  1.0
  O  O11  1  0.992  0.492  0.750  1.0
  O  O12  1  0.492  0.992  0.750  1.0
  O  O13  1  0.295  0.295  0.795  1.0
[/CIF]
.
The material structure described by Y2CuO4 crystallizes in the orthorhombic Cmce space group. Y(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Y(1) and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded to four equivalent Y(1) atoms to form a mixture of edge and corner-sharing OY4 tetrahedra. is represented by the CIF file [CIF]
data_Y2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.564
_cell_length_b   6.564
_cell_length_c   5.510
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   130.337
_symmetry_Int_Tables_number   1
_cell_volume   180.957
_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
  Y  Y0  1  0.654  0.346  0.000  1.0
  Y  Y1  1  0.346  0.654  0.000  1.0
  Y  Y2  1  0.846  0.154  0.500  1.0
  Y  Y3  1  0.154  0.846  0.500  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.705  0.705  0.205  1.0
  O  O7  1  0.508  0.008  0.250  1.0
  O  O8  1  0.008  0.508  0.250  1.0
  O  O9  1  0.205  0.205  0.295  1.0
  O  O10  1  0.795  0.795  0.705  1.0
  O  O11  1  0.992  0.492  0.750  1.0
  O  O12  1  0.492  0.992  0.750  1.0
  O  O13  1  0.295  0.295  0.795  1.0
[/CIF]
.