The material structure described by Sr2MgCu3(O2Cl)2 crystallizes in the monoclinic C2/m space group. Sr(1) is bonded in a 5-coordinate geometry to one Mg(1) and four equivalent Cl(1) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent Sr(1), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to one Mg(1), one Cu(1), and two equivalent Cu(2) atoms. In the second O site, O(2) is bonded in a square co-planar geometry to one Mg(1), one Cu(1), and two equivalent Cu(2) atoms. Cl(1) is bonded to four equivalent Sr(1) atoms to form a mixture of distorted edge and corner-sharing ClSr4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2MgCu3(ClO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.647
_cell_length_b   5.647
_cell_length_c   8.852
_cell_angle_alpha   108.642
_cell_angle_beta   108.652
_cell_angle_gamma   90.257
_symmetry_Int_Tables_number   1
_cell_volume   251.617
_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  0.319  0.319  0.636  1.0
  Sr  Sr1  1  0.681  0.681  0.364  1.0
  Mg  Mg2  1  0.500  0.500  0.000  1.0
  Cu  Cu3  1  1.000  0.000  0.000  1.0
  Cu  Cu4  1  0.500  0.000  1.000  1.0
  Cu  Cu5  1  1.000  0.500  1.000  1.0
  Cl  Cl6  1  0.750  0.250  0.500  1.0
  Cl  Cl7  1  0.250  0.750  0.500  1.0
  O  O8  1  0.745  0.255  1.000  1.0
  O  O9  1  0.255  0.745  0.000  1.0
  O  O10  1  0.254  0.254  0.000  1.0
  O  O11  1  0.746  0.746  1.000  1.0
[/CIF]
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The material structure described by Sr2MgCu3(O2Cl)2 crystallizes in the monoclinic C2/m space group. Sr(1) is bonded in a 5-coordinate geometry to one Mg(1) and four equivalent Cl(1) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent Sr(1), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to one Mg(1), one Cu(1), and two equivalent Cu(2) atoms. In the second O site, O(2) is bonded in a square co-planar geometry to one Mg(1), one Cu(1), and two equivalent Cu(2) atoms. Cl(1) is bonded to four equivalent Sr(1) atoms to form a mixture of distorted edge and corner-sharing ClSr4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2MgCu3(ClO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.647
_cell_length_b   5.647
_cell_length_c   8.852
_cell_angle_alpha   108.642
_cell_angle_beta   108.652
_cell_angle_gamma   90.257
_symmetry_Int_Tables_number   1
_cell_volume   251.617
_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  0.319  0.319  0.636  1.0
  Sr  Sr1  1  0.681  0.681  0.364  1.0
  Mg  Mg2  1  0.500  0.500  0.000  1.0
  Cu  Cu3  1  1.000  0.000  0.000  1.0
  Cu  Cu4  1  0.500  0.000  1.000  1.0
  Cu  Cu5  1  1.000  0.500  1.000  1.0
  Cl  Cl6  1  0.750  0.250  0.500  1.0
  Cl  Cl7  1  0.250  0.750  0.500  1.0
  O  O8  1  0.745  0.255  1.000  1.0
  O  O9  1  0.255  0.745  0.000  1.0
  O  O10  1  0.254  0.254  0.000  1.0
  O  O11  1  0.746  0.746  1.000  1.0
[/CIF]
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