The compound described by Sr2Mg(Cu2O3)2 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form a mixture of corner and edge-sharing SrO6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to two equivalent O(4) and four equivalent O(3) atoms. Mg(1) is bonded in a distorted linear geometry to two equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted linear geometry to one O(2) and one O(3) atom. In the second Cu site, Cu(2) is bonded in a distorted square co-planar geometry to one O(1), one O(4), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one Cu(2) atom. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Mg(1), and two equivalent Cu(1) atoms to form OSr2Mg2Cu2 octahedra that share corners with four equivalent O(2)Sr2Mg2Cu2 octahedra and corners with two equivalent O(3)Sr2Cu3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to two equivalent Sr(2), one Cu(1), and two equivalent Cu(2) atoms to form distorted OSr2Cu3 trigonal bipyramids that share  a cornercorner with one O(2)Sr2Mg2Cu2 octahedra, corners with six equivalent O(3)Sr2Cu3 trigonal bipyramids, and  an edgeedge with one O(3)Sr2Cu3 trigonal bipyramid. The corner-sharing octahedral tilt angles are 17°. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Sr(2) and two equivalent Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2Mg(Cu2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.958
_cell_length_b   4.763
_cell_length_c   4.106
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   194.756
_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  0.250  0.250  0.631  1.0
  Sr  Sr1  1  0.750  0.750  0.496  1.0
  Mg  Mg2  1  0.250  0.750  0.159  1.0
  Cu  Cu3  1  0.059  0.750  0.774  1.0
  Cu  Cu4  1  0.441  0.750  0.774  1.0
  Cu  Cu5  1  0.574  0.250  0.119  1.0
  Cu  Cu6  1  0.926  0.250  0.119  1.0
  O  O7  1  0.112  0.250  0.128  1.0
  O  O8  1  0.250  0.750  0.639  1.0
  O  O9  1  0.388  0.250  0.128  1.0
  O  O10  1  0.592  0.750  0.010  1.0
  O  O11  1  0.750  0.250  0.266  1.0
  O  O12  1  0.908  0.750  0.010  1.0
[/CIF]
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The compound described by Sr2Mg(Cu2O3)2 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form a mixture of corner and edge-sharing SrO6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to two equivalent O(4) and four equivalent O(3) atoms. Mg(1) is bonded in a distorted linear geometry to two equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted linear geometry to one O(2) and one O(3) atom. In the second Cu site, Cu(2) is bonded in a distorted square co-planar geometry to one O(1), one O(4), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one Cu(2) atom. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Mg(1), and two equivalent Cu(1) atoms to form OSr2Mg2Cu2 octahedra that share corners with four equivalent O(2)Sr2Mg2Cu2 octahedra and corners with two equivalent O(3)Sr2Cu3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to two equivalent Sr(2), one Cu(1), and two equivalent Cu(2) atoms to form distorted OSr2Cu3 trigonal bipyramids that share  a cornercorner with one O(2)Sr2Mg2Cu2 octahedra, corners with six equivalent O(3)Sr2Cu3 trigonal bipyramids, and  an edgeedge with one O(3)Sr2Cu3 trigonal bipyramid. The corner-sharing octahedral tilt angles are 17°. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Sr(2) and two equivalent Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2Mg(Cu2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.958
_cell_length_b   4.763
_cell_length_c   4.106
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   194.756
_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  0.250  0.250  0.631  1.0
  Sr  Sr1  1  0.750  0.750  0.496  1.0
  Mg  Mg2  1  0.250  0.750  0.159  1.0
  Cu  Cu3  1  0.059  0.750  0.774  1.0
  Cu  Cu4  1  0.441  0.750  0.774  1.0
  Cu  Cu5  1  0.574  0.250  0.119  1.0
  Cu  Cu6  1  0.926  0.250  0.119  1.0
  O  O7  1  0.112  0.250  0.128  1.0
  O  O8  1  0.250  0.750  0.639  1.0
  O  O9  1  0.388  0.250  0.128  1.0
  O  O10  1  0.592  0.750  0.010  1.0
  O  O11  1  0.750  0.250  0.266  1.0
  O  O12  1  0.908  0.750  0.010  1.0
[/CIF]
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