The material structure described by Sr2MgCuO4 crystallizes in the monoclinic C2/m space group. Sr(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. Mg(1) is bonded in a linear geometry to two 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 to four equivalent Sr(1) and two equivalent Cu(1) atoms to form a mixture of distorted corner, edge, and face-sharing OSr4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Sr(1) and one Mg(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2MgCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.743
_cell_length_b   8.822
_cell_length_c   9.246
_cell_angle_alpha   155.677
_cell_angle_beta   156.926
_cell_angle_gamma   34.498
_symmetry_Int_Tables_number   1
_cell_volume   127.792
_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
  Sr  Sr0  1  0.471  0.332  0.000  1.0
  Sr  Sr1  1  0.529  0.668  0.000  1.0
  Mg  Mg2  1  0.000  0.500  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.500  0.000  0.500  1.0
  O  O5  1  0.174  0.161  0.000  1.0
  O  O6  1  0.826  0.839  0.000  1.0
  O  O7  1  0.000  0.500  0.500  1.0
[/CIF]
.
The material structure described by Sr2MgCuO4 crystallizes in the monoclinic C2/m space group. Sr(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. Mg(1) is bonded in a linear geometry to two 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 to four equivalent Sr(1) and two equivalent Cu(1) atoms to form a mixture of distorted corner, edge, and face-sharing OSr4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Sr(1) and one Mg(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2MgCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.743
_cell_length_b   8.822
_cell_length_c   9.246
_cell_angle_alpha   155.677
_cell_angle_beta   156.926
_cell_angle_gamma   34.498
_symmetry_Int_Tables_number   1
_cell_volume   127.792
_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
  Sr  Sr0  1  0.471  0.332  0.000  1.0
  Sr  Sr1  1  0.529  0.668  0.000  1.0
  Mg  Mg2  1  0.000  0.500  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.500  0.000  0.500  1.0
  O  O5  1  0.174  0.161  0.000  1.0
  O  O6  1  0.826  0.839  0.000  1.0
  O  O7  1  0.000  0.500  0.500  1.0
[/CIF]
.