The material structure described by Sr3Co2O6 crystallizes in the triclinic P-1 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(5), one O(6), two equivalent O(2), and two equivalent O(4) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Co site, Co(2) is bonded in an octahedral geometry to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. In the third Co site, Co(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Sr(2), one Sr(3), two equivalent Sr(1), one Co(1), and one Co(3) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the second O site, O(2) is bonded to one Sr(1), one Sr(3), two equivalent Sr(2), one Co(1), and one Co(3) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the third O site, O(3) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), one Co(1), and one Co(3) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the fourth O site, O(4) is bonded to one Sr(1), one Sr(3), two equivalent Sr(2), one Co(2), and one Co(3) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), one Co(2), and one Co(3) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the sixth O site, O(6) is bonded to one Sr(2), one Sr(3), two equivalent Sr(1), one Co(2), and one Co(3) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.580
_cell_length_b   6.516
_cell_length_c   6.522
_cell_angle_alpha   93.915
_cell_angle_beta   93.526
_cell_angle_gamma   93.572
_symmetry_Int_Tables_number   1
_cell_volume   277.843
_cell_formula_units_Z   2
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  0.618  0.881  0.254  1.0
  Sr  Sr1  1  0.883  0.247  0.618  1.0
  Sr  Sr2  1  0.249  0.622  0.878  1.0
  Sr  Sr3  1  0.117  0.754  0.382  1.0
  Sr  Sr4  1  0.751  0.378  0.122  1.0
  Sr  Sr5  1  0.382  0.119  0.746  1.0
  Co  Co6  1  0.500  0.500  0.500  1.0
  Co  Co7  1  0.000  1.000  0.000  1.0
  Co  Co8  1  0.251  0.256  0.243  1.0
  Co  Co9  1  0.749  0.744  0.757  1.0
  O  O10  1  0.539  0.219  0.411  1.0
  O  O11  1  0.220  0.404  0.528  1.0
  O  O12  1  0.408  0.529  0.217  1.0
  O  O13  1  0.038  0.911  0.720  1.0
  O  O14  1  0.909  0.717  0.031  1.0
  O  O15  1  0.720  0.027  0.904  1.0
  O  O16  1  0.461  0.781  0.589  1.0
  O  O17  1  0.780  0.596  0.472  1.0
  O  O18  1  0.592  0.471  0.783  1.0
  O  O19  1  0.962  0.089  0.280  1.0
  O  O20  1  0.091  0.283  0.970  1.0
  O  O21  1  0.280  0.973  0.096  1.0
[/CIF]
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The material structure described by Sr3Co2O6 crystallizes in the triclinic P-1 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(5), one O(6), two equivalent O(2), and two equivalent O(4) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Co site, Co(2) is bonded in an octahedral geometry to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. In the third Co site, Co(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Sr(2), one Sr(3), two equivalent Sr(1), one Co(1), and one Co(3) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the second O site, O(2) is bonded to one Sr(1), one Sr(3), two equivalent Sr(2), one Co(1), and one Co(3) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the third O site, O(3) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), one Co(1), and one Co(3) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the fourth O site, O(4) is bonded to one Sr(1), one Sr(3), two equivalent Sr(2), one Co(2), and one Co(3) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), one Co(2), and one Co(3) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the sixth O site, O(6) is bonded to one Sr(2), one Sr(3), two equivalent Sr(1), one Co(2), and one Co(3) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.580
_cell_length_b   6.516
_cell_length_c   6.522
_cell_angle_alpha   93.915
_cell_angle_beta   93.526
_cell_angle_gamma   93.572
_symmetry_Int_Tables_number   1
_cell_volume   277.843
_cell_formula_units_Z   2
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  0.618  0.881  0.254  1.0
  Sr  Sr1  1  0.883  0.247  0.618  1.0
  Sr  Sr2  1  0.249  0.622  0.878  1.0
  Sr  Sr3  1  0.117  0.754  0.382  1.0
  Sr  Sr4  1  0.751  0.378  0.122  1.0
  Sr  Sr5  1  0.382  0.119  0.746  1.0
  Co  Co6  1  0.500  0.500  0.500  1.0
  Co  Co7  1  0.000  1.000  0.000  1.0
  Co  Co8  1  0.251  0.256  0.243  1.0
  Co  Co9  1  0.749  0.744  0.757  1.0
  O  O10  1  0.539  0.219  0.411  1.0
  O  O11  1  0.220  0.404  0.528  1.0
  O  O12  1  0.408  0.529  0.217  1.0
  O  O13  1  0.038  0.911  0.720  1.0
  O  O14  1  0.909  0.717  0.031  1.0
  O  O15  1  0.720  0.027  0.904  1.0
  O  O16  1  0.461  0.781  0.589  1.0
  O  O17  1  0.780  0.596  0.472  1.0
  O  O18  1  0.592  0.471  0.783  1.0
  O  O19  1  0.962  0.089  0.280  1.0
  O  O20  1  0.091  0.283  0.970  1.0
  O  O21  1  0.280  0.973  0.096  1.0
[/CIF]
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