The crystal structure described by Sr2MgCo2O5 crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. Mg(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. In the second Co site, Co(2) is bonded in a distorted trigonal pyramidal geometry to one O(2), one O(3), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Sr(2), one Mg(1), and one Co(1) atom to form distorted corner-sharing OSr2MgCo tetrahedra. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Sr(2), two equivalent Sr(1), one Mg(1), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), one Co(1), and one Co(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), one Co(1), and one Co(2) atom. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(2), one Mg(1), one Co(1), and one Co(2) atom to form distorted corner-sharing OSr2MgCo2 trigonal bipyramids. is represented by the CIF file [CIF]
data_Sr2MgCo2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.851
_cell_length_b   5.904
_cell_length_c   5.465
_cell_angle_alpha   69.231
_cell_angle_beta   45.462
_cell_angle_gamma   53.824
_symmetry_Int_Tables_number   1
_cell_volume   144.955
_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  0.145  0.546  0.523  1.0
  Sr  Sr1  1  0.555  0.776  0.433  1.0
  Mg  Mg2  1  0.743  0.190  0.666  1.0
  Co  Co3  1  0.950  0.996  0.037  1.0
  Co  Co4  1  0.277  0.173  0.057  1.0
  O  O5  1  0.602  0.169  0.141  1.0
  O  O6  1  0.266  0.558  0.931  1.0
  O  O7  1  0.675  0.905  0.675  1.0
  O  O8  1  0.134  0.007  0.506  1.0
  O  O9  1  0.936  0.295  0.149  1.0
[/CIF]
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The crystal structure described by Sr2MgCo2O5 crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. Mg(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. In the second Co site, Co(2) is bonded in a distorted trigonal pyramidal geometry to one O(2), one O(3), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Sr(2), one Mg(1), and one Co(1) atom to form distorted corner-sharing OSr2MgCo tetrahedra. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Sr(2), two equivalent Sr(1), one Mg(1), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), one Co(1), and one Co(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), one Co(1), and one Co(2) atom. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(2), one Mg(1), one Co(1), and one Co(2) atom to form distorted corner-sharing OSr2MgCo2 trigonal bipyramids. is represented by the CIF file [CIF]
data_Sr2MgCo2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.851
_cell_length_b   5.904
_cell_length_c   5.465
_cell_angle_alpha   69.231
_cell_angle_beta   45.462
_cell_angle_gamma   53.824
_symmetry_Int_Tables_number   1
_cell_volume   144.955
_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  0.145  0.546  0.523  1.0
  Sr  Sr1  1  0.555  0.776  0.433  1.0
  Mg  Mg2  1  0.743  0.190  0.666  1.0
  Co  Co3  1  0.950  0.996  0.037  1.0
  Co  Co4  1  0.277  0.173  0.057  1.0
  O  O5  1  0.602  0.169  0.141  1.0
  O  O6  1  0.266  0.558  0.931  1.0
  O  O7  1  0.675  0.905  0.675  1.0
  O  O8  1  0.134  0.007  0.506  1.0
  O  O9  1  0.936  0.295  0.149  1.0
[/CIF]
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