The structure described by Sr2Mg(CuO2)2 crystallizes in the monoclinic C2/m space group. Sr(1) is bonded in a 7-coordinate geometry to two equivalent O(2) and five equivalent O(1) atoms. Mg(1) is bonded in a distorted square co-planar geometry to four equivalent O(2) atoms. Cu(1) is bonded in a distorted T-shaped geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to five equivalent Sr(1) and one Cu(1) atom to form a mixture of edge and corner-sharing OSr5Cu octahedra. The corner-sharing octahedral tilt angles are 7°. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Mg(1), and two equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2Mg(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.313
_cell_length_b   3.819
_cell_length_c   10.330
_cell_angle_alpha   79.550
_cell_angle_beta   99.229
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   126.816
_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  0.317  0.684  0.634  1.0
  Sr  Sr1  1  0.683  0.316  0.366  1.0
  Mg  Mg2  1  0.500  0.500  0.000  1.0
  Cu  Cu3  1  0.918  0.083  0.835  1.0
  Cu  Cu4  1  0.082  0.917  0.165  1.0
  O  O5  1  0.190  0.808  0.381  1.0
  O  O6  1  0.810  0.192  0.619  1.0
  O  O7  1  0.067  0.432  0.135  1.0
  O  O8  1  0.933  0.568  0.865  1.0
[/CIF]
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The structure described by Sr2Mg(CuO2)2 crystallizes in the monoclinic C2/m space group. Sr(1) is bonded in a 7-coordinate geometry to two equivalent O(2) and five equivalent O(1) atoms. Mg(1) is bonded in a distorted square co-planar geometry to four equivalent O(2) atoms. Cu(1) is bonded in a distorted T-shaped geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to five equivalent Sr(1) and one Cu(1) atom to form a mixture of edge and corner-sharing OSr5Cu octahedra. The corner-sharing octahedral tilt angles are 7°. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Mg(1), and two equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2Mg(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.313
_cell_length_b   3.819
_cell_length_c   10.330
_cell_angle_alpha   79.550
_cell_angle_beta   99.229
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   126.816
_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  0.317  0.684  0.634  1.0
  Sr  Sr1  1  0.683  0.316  0.366  1.0
  Mg  Mg2  1  0.500  0.500  0.000  1.0
  Cu  Cu3  1  0.918  0.083  0.835  1.0
  Cu  Cu4  1  0.082  0.917  0.165  1.0
  O  O5  1  0.190  0.808  0.381  1.0
  O  O6  1  0.810  0.192  0.619  1.0
  O  O7  1  0.067  0.432  0.135  1.0
  O  O8  1  0.933  0.568  0.865  1.0
[/CIF]
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