The material structure described by Er2CuO4 crystallizes in the orthorhombic Cmce space group. Er(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 Er(1) and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded to four equivalent Er(1) atoms to form a mixture of corner and edge-sharing OEr4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.484
_cell_length_b   6.484
_cell_length_c   5.467
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   130.092
_symmetry_Int_Tables_number   1
_cell_volume   175.814
_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
  Er  Er0  1  0.655  0.345  0.000  1.0
  Er  Er1  1  0.345  0.655  0.000  1.0
  Er  Er2  1  0.845  0.155  0.500  1.0
  Er  Er3  1  0.155  0.845  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  0.698  0.698  0.198  1.0
  O  O7  1  0.510  0.010  0.250  1.0
  O  O8  1  0.010  0.510  0.250  1.0
  O  O9  1  0.198  0.198  0.302  1.0
  O  O10  1  0.802  0.802  0.698  1.0
  O  O11  1  0.990  0.490  0.750  1.0
  O  O12  1  0.490  0.990  0.750  1.0
  O  O13  1  0.302  0.302  0.802  1.0
[/CIF]
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The material structure described by Er2CuO4 crystallizes in the orthorhombic Cmce space group. Er(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 Er(1) and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded to four equivalent Er(1) atoms to form a mixture of corner and edge-sharing OEr4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.484
_cell_length_b   6.484
_cell_length_c   5.467
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   130.092
_symmetry_Int_Tables_number   1
_cell_volume   175.814
_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
  Er  Er0  1  0.655  0.345  0.000  1.0
  Er  Er1  1  0.345  0.655  0.000  1.0
  Er  Er2  1  0.845  0.155  0.500  1.0
  Er  Er3  1  0.155  0.845  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  0.698  0.698  0.198  1.0
  O  O7  1  0.510  0.010  0.250  1.0
  O  O8  1  0.010  0.510  0.250  1.0
  O  O9  1  0.198  0.198  0.302  1.0
  O  O10  1  0.802  0.802  0.698  1.0
  O  O11  1  0.990  0.490  0.750  1.0
  O  O12  1  0.490  0.990  0.750  1.0
  O  O13  1  0.302  0.302  0.802  1.0
[/CIF]
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