The structure described by SrMgCu2O3 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a linear geometry to two equivalent Mg(1) atoms. In the second Sr site, Sr(1) is bonded in a linear geometry to two equivalent Mg(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. Cu(1) is bonded in a square co-planar geometry to one O(2) and three equivalent O(1) 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) and three equivalent Cu(1) atoms. In the second O site, O(2) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_SrMgCu2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.733
_cell_length_b   4.006
_cell_length_c   6.304
_cell_angle_alpha   108.528
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   137.284
_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  0.500  0.000  0.000  1.0
  Mg  Mg1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.000  0.330  0.661  1.0
  Cu  Cu3  1  0.000  0.670  0.339  1.0
  O  O4  1  0.000  0.839  0.678  1.0
  O  O5  1  0.000  0.161  0.322  1.0
  O  O6  1  0.000  0.500  0.000  1.0
[/CIF]
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The structure described by SrMgCu2O3 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a linear geometry to two equivalent Mg(1) atoms. In the second Sr site, Sr(1) is bonded in a linear geometry to two equivalent Mg(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. Cu(1) is bonded in a square co-planar geometry to one O(2) and three equivalent O(1) 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) and three equivalent Cu(1) atoms. In the second O site, O(2) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_SrMgCu2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.733
_cell_length_b   4.006
_cell_length_c   6.304
_cell_angle_alpha   108.528
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   137.284
_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  0.500  0.000  0.000  1.0
  Mg  Mg1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.000  0.330  0.661  1.0
  Cu  Cu3  1  0.000  0.670  0.339  1.0
  O  O4  1  0.000  0.839  0.678  1.0
  O  O5  1  0.000  0.161  0.322  1.0
  O  O6  1  0.000  0.500  0.000  1.0
[/CIF]
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