The structure described by SrMgCoO3 crystallizes in the triclinic P1 space group. Sr(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Mg(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO5 trigonal bipyramids that share  a cornercorner with one Co(1)O5 trigonal bipyramid, corners with four equivalent Mg(1)O5 trigonal bipyramids, and edges with four equivalent Co(1)O5 trigonal bipyramids. Co(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O5 trigonal bipyramid, corners with four equivalent Co(1)O5 trigonal bipyramids, and edges with four equivalent Mg(1)O5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Mg(1), and one Co(1) atom to form distorted OSr4MgCo octahedra that share corners with four equivalent O(1)Sr4MgCo octahedra, corners with six equivalent O(2)Sr2Mg2Co2 octahedra, corners with six equivalent O(3)Sr2Mg2Co2 octahedra, edges with four equivalent O(1)Sr4MgCo octahedra, faces with two equivalent O(2)Sr2Mg2Co2 octahedra, and faces with two equivalent O(3)Sr2Mg2Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-73°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Mg(1), and two equivalent Co(1) atoms to form distorted OSr2Mg2Co2 octahedra that share corners with two equivalent O(2)Sr2Mg2Co2 octahedra, corners with two equivalent O(3)Sr2Mg2Co2 octahedra, corners with six equivalent O(1)Sr4MgCo octahedra, edges with two equivalent O(2)Sr2Mg2Co2 octahedra, edges with five equivalent O(3)Sr2Mg2Co2 octahedra, and faces with two equivalent O(1)Sr4MgCo octahedra. The corner-sharing octahedral tilt angles range from 3-67°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Mg(1), and two equivalent Co(1) atoms to form distorted OSr2Mg2Co2 octahedra that share corners with two equivalent O(2)Sr2Mg2Co2 octahedra, corners with two equivalent O(3)Sr2Mg2Co2 octahedra, corners with six equivalent O(1)Sr4MgCo octahedra, edges with two equivalent O(3)Sr2Mg2Co2 octahedra, edges with five equivalent O(2)Sr2Mg2Co2 octahedra, and faces with two equivalent O(1)Sr4MgCo octahedra. The corner-sharing octahedral tilt angles range from 3-73°. is represented by the CIF file [CIF]
data_SrMgCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.212
_cell_length_b   3.402
_cell_length_c   5.668
_cell_angle_alpha   75.720
_cell_angle_beta   108.813
_cell_angle_gamma   89.190
_symmetry_Int_Tables_number   1
_cell_volume   74.122
_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  0.360  0.626  0.543  1.0
  Mg  Mg1  1  0.683  0.318  0.159  1.0
  Co  Co2  1  0.050  0.934  0.916  1.0
  O  O3  1  0.878  0.149  0.539  1.0
  O  O4  1  0.182  0.331  0.146  1.0
  O  O5  1  0.581  0.909  0.946  1.0
[/CIF]
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The structure described by SrMgCoO3 crystallizes in the triclinic P1 space group. Sr(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Mg(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO5 trigonal bipyramids that share  a cornercorner with one Co(1)O5 trigonal bipyramid, corners with four equivalent Mg(1)O5 trigonal bipyramids, and edges with four equivalent Co(1)O5 trigonal bipyramids. Co(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O5 trigonal bipyramid, corners with four equivalent Co(1)O5 trigonal bipyramids, and edges with four equivalent Mg(1)O5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Mg(1), and one Co(1) atom to form distorted OSr4MgCo octahedra that share corners with four equivalent O(1)Sr4MgCo octahedra, corners with six equivalent O(2)Sr2Mg2Co2 octahedra, corners with six equivalent O(3)Sr2Mg2Co2 octahedra, edges with four equivalent O(1)Sr4MgCo octahedra, faces with two equivalent O(2)Sr2Mg2Co2 octahedra, and faces with two equivalent O(3)Sr2Mg2Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-73°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Mg(1), and two equivalent Co(1) atoms to form distorted OSr2Mg2Co2 octahedra that share corners with two equivalent O(2)Sr2Mg2Co2 octahedra, corners with two equivalent O(3)Sr2Mg2Co2 octahedra, corners with six equivalent O(1)Sr4MgCo octahedra, edges with two equivalent O(2)Sr2Mg2Co2 octahedra, edges with five equivalent O(3)Sr2Mg2Co2 octahedra, and faces with two equivalent O(1)Sr4MgCo octahedra. The corner-sharing octahedral tilt angles range from 3-67°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Mg(1), and two equivalent Co(1) atoms to form distorted OSr2Mg2Co2 octahedra that share corners with two equivalent O(2)Sr2Mg2Co2 octahedra, corners with two equivalent O(3)Sr2Mg2Co2 octahedra, corners with six equivalent O(1)Sr4MgCo octahedra, edges with two equivalent O(3)Sr2Mg2Co2 octahedra, edges with five equivalent O(2)Sr2Mg2Co2 octahedra, and faces with two equivalent O(1)Sr4MgCo octahedra. The corner-sharing octahedral tilt angles range from 3-73°. is represented by the CIF file [CIF]
data_SrMgCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.212
_cell_length_b   3.402
_cell_length_c   5.668
_cell_angle_alpha   75.720
_cell_angle_beta   108.813
_cell_angle_gamma   89.190
_symmetry_Int_Tables_number   1
_cell_volume   74.122
_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  0.360  0.626  0.543  1.0
  Mg  Mg1  1  0.683  0.318  0.159  1.0
  Co  Co2  1  0.050  0.934  0.916  1.0
  O  O3  1  0.878  0.149  0.539  1.0
  O  O4  1  0.182  0.331  0.146  1.0
  O  O5  1  0.581  0.909  0.946  1.0
[/CIF]
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