The crystal structure described by MgLa2CuO4 crystallizes in the orthorhombic F222 space group. Mg(1) is bonded to four equivalent O(2) atoms to form corner-sharing MgO4 tetrahedra. La(1) is bonded in a distorted water-like geometry to two equivalent O(1) and four equivalent O(2) atoms. Cu(1) is bonded to four equivalent O(1) atoms to form corner-sharing CuO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1) and two equivalent Cu(1) atoms to form corner-sharing OLa2Cu2 tetrahedra. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Mg(1) and four equivalent La(1) atoms. is represented by the CIF card [CIF]
data_La2MgCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.471
_cell_length_b   3.471
_cell_length_c   10.624
_cell_angle_alpha   99.603
_cell_angle_beta   99.603
_cell_angle_gamma   88.778
_symmetry_Int_Tables_number   1
_cell_volume   124.398
_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
  La  La0  1  0.382  0.382  0.763  1.0
  La  La1  1  0.618  0.618  0.237  1.0
  Mg  Mg2  1  0.250  0.750  0.500  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.949  0.449  0.898  1.0
  O  O5  1  0.551  0.051  0.102  1.0
  O  O6  1  0.192  0.192  0.385  1.0
  O  O7  1  0.808  0.808  0.615  1.0
[/CIF]
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The crystal structure described by MgLa2CuO4 crystallizes in the orthorhombic F222 space group. Mg(1) is bonded to four equivalent O(2) atoms to form corner-sharing MgO4 tetrahedra. La(1) is bonded in a distorted water-like geometry to two equivalent O(1) and four equivalent O(2) atoms. Cu(1) is bonded to four equivalent O(1) atoms to form corner-sharing CuO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1) and two equivalent Cu(1) atoms to form corner-sharing OLa2Cu2 tetrahedra. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Mg(1) and four equivalent La(1) atoms. is represented by the CIF card [CIF]
data_La2MgCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.471
_cell_length_b   3.471
_cell_length_c   10.624
_cell_angle_alpha   99.603
_cell_angle_beta   99.603
_cell_angle_gamma   88.778
_symmetry_Int_Tables_number   1
_cell_volume   124.398
_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
  La  La0  1  0.382  0.382  0.763  1.0
  La  La1  1  0.618  0.618  0.237  1.0
  Mg  Mg2  1  0.250  0.750  0.500  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.949  0.449  0.898  1.0
  O  O5  1  0.551  0.051  0.102  1.0
  O  O6  1  0.192  0.192  0.385  1.0
  O  O7  1  0.808  0.808  0.615  1.0
[/CIF]
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