The compound described by Sr3Co2O6 crystallizes in the triclinic P1 space group. There are six inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(12), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), one O(7), and one O(9) atom. In the fourth Sr site, Sr(4) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. In the fifth Sr site, Sr(5) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(5), one O(6), one O(8), and one O(9) atom. In the sixth Sr site, Sr(6) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(4), one O(6), one O(7), and one O(9) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form face-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form distorted face-sharing CoO6 pentagonal pyramids. In the third Co site, Co(3) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form face-sharing CoO6 octahedra. In the fourth Co site, Co(4) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), and one O(3) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Sr(2), one Sr(5), one Sr(6), one Co(3), and one Co(4) atom to form a mixture of distorted edge, face, and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-64°. In the second O site, O(2) is bonded to one Sr(2), one Sr(3), one Sr(4), one Sr(6), one Co(3), and one Co(4) atom to form a mixture of distorted edge, face, and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-65°. In the third O site, O(3) is bonded to one Sr(1), one Sr(3), one Sr(4), one Sr(5), one Co(3), and one Co(4) atom to form a mixture of distorted edge, face, and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-64°. In the fourth O site, O(4) is bonded to one Sr(2), one Sr(3), one Sr(4), one Sr(6), one Co(1), and one Co(2) atom to form a mixture of distorted edge, face, and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-64°. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(3), one Sr(4), one Sr(5), one Co(1), and one Co(2) atom to form a mixture of distorted edge, face, and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-65°. In the sixth O site, O(6) is bonded to one Sr(1), one Sr(2), one Sr(5), one Sr(6), one Co(1), and one Co(2) atom to form a mixture of distorted edge, face, and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-64°. In the seventh O site, O(7) is bonded to one Sr(1), one Sr(3), one Sr(4), one Sr(6), one Co(2), and one Co(3) atom to form a mixture of distorted edge, face, and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-64°. In the eighth O site, O(8) is bonded to one Sr(1), one Sr(2), one Sr(4), one Sr(5), one Co(2), and one Co(3) atom to form a mixture of distorted edge, face, and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-65°. In the ninth O site, O(9) is bonded to one Sr(2), one Sr(3), one Sr(5), one Sr(6), one Co(2), and one Co(3) atom to form a mixture of distorted edge, face, and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-64°. In the tenth O site, O(10) is bonded to one Sr(1), one Sr(2), one Sr(4), one Sr(5), one Co(1), and one Co(4) atom to form a mixture of distorted edge, face, and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-64°. In the eleventh O site, O(11) is bonded to one Sr(2), one Sr(3), one Sr(5), one Sr(6), one Co(1), and one Co(4) atom to form a mixture of distorted edge, face, and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-65°. In the twelfth O site, O(12) is bonded to one Sr(1), one Sr(3), one Sr(4), one Sr(6), one Co(1), and one Co(4) atom to form a mixture of distorted edge, face, and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-64°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.522
_cell_length_b   6.512
_cell_length_c   6.540
_cell_angle_alpha   93.552
_cell_angle_beta   93.470
_cell_angle_gamma   93.682
_symmetry_Int_Tables_number   1
_cell_volume   276.086
_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  0.881  0.251  0.619  1.0
  Sr  Sr1  1  0.249  0.620  0.881  1.0
  Sr  Sr2  1  0.621  0.879  0.251  1.0
  Sr  Sr3  1  0.753  0.381  0.119  1.0
  Sr  Sr4  1  0.380  0.120  0.749  1.0
  Sr  Sr5  1  0.119  0.748  0.382  1.0
  Co  Co6  1  0.001  0.003  0.001  1.0
  Co  Co7  1  0.750  0.750  0.750  1.0
  Co  Co8  1  0.497  0.498  0.500  1.0
  Co  Co9  1  0.256  0.246  0.247  1.0
  O  O10  1  0.217  0.410  0.535  1.0
  O  O11  1  0.404  0.528  0.219  1.0
  O  O12  1  0.532  0.217  0.409  1.0
  O  O13  1  0.907  0.720  0.027  1.0
  O  O14  1  0.719  0.025  0.907  1.0
  O  O15  1  0.026  0.907  0.719  1.0
  O  O16  1  0.780  0.593  0.473  1.0
  O  O17  1  0.593  0.475  0.781  1.0
  O  O18  1  0.474  0.781  0.593  1.0
  O  O19  1  0.089  0.283  0.964  1.0
  O  O20  1  0.283  0.971  0.094  1.0
  O  O21  1  0.970  0.094  0.281  1.0
[/CIF]
.
The compound described by Sr3Co2O6 crystallizes in the triclinic P1 space group. There are six inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(12), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), one O(7), and one O(9) atom. In the fourth Sr site, Sr(4) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. In the fifth Sr site, Sr(5) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(5), one O(6), one O(8), and one O(9) atom. In the sixth Sr site, Sr(6) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(4), one O(6), one O(7), and one O(9) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form face-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form distorted face-sharing CoO6 pentagonal pyramids. In the third Co site, Co(3) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form face-sharing CoO6 octahedra. In the fourth Co site, Co(4) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), and one O(3) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Sr(2), one Sr(5), one Sr(6), one Co(3), and one Co(4) atom to form a mixture of distorted edge, face, and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-64°. In the second O site, O(2) is bonded to one Sr(2), one Sr(3), one Sr(4), one Sr(6), one Co(3), and one Co(4) atom to form a mixture of distorted edge, face, and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-65°. In the third O site, O(3) is bonded to one Sr(1), one Sr(3), one Sr(4), one Sr(5), one Co(3), and one Co(4) atom to form a mixture of distorted edge, face, and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-64°. In the fourth O site, O(4) is bonded to one Sr(2), one Sr(3), one Sr(4), one Sr(6), one Co(1), and one Co(2) atom to form a mixture of distorted edge, face, and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-64°. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(3), one Sr(4), one Sr(5), one Co(1), and one Co(2) atom to form a mixture of distorted edge, face, and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-65°. In the sixth O site, O(6) is bonded to one Sr(1), one Sr(2), one Sr(5), one Sr(6), one Co(1), and one Co(2) atom to form a mixture of distorted edge, face, and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-64°. In the seventh O site, O(7) is bonded to one Sr(1), one Sr(3), one Sr(4), one Sr(6), one Co(2), and one Co(3) atom to form a mixture of distorted edge, face, and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-64°. In the eighth O site, O(8) is bonded to one Sr(1), one Sr(2), one Sr(4), one Sr(5), one Co(2), and one Co(3) atom to form a mixture of distorted edge, face, and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-65°. In the ninth O site, O(9) is bonded to one Sr(2), one Sr(3), one Sr(5), one Sr(6), one Co(2), and one Co(3) atom to form a mixture of distorted edge, face, and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-64°. In the tenth O site, O(10) is bonded to one Sr(1), one Sr(2), one Sr(4), one Sr(5), one Co(1), and one Co(4) atom to form a mixture of distorted edge, face, and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-64°. In the eleventh O site, O(11) is bonded to one Sr(2), one Sr(3), one Sr(5), one Sr(6), one Co(1), and one Co(4) atom to form a mixture of distorted edge, face, and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-65°. In the twelfth O site, O(12) is bonded to one Sr(1), one Sr(3), one Sr(4), one Sr(6), one Co(1), and one Co(4) atom to form a mixture of distorted edge, face, and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-64°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.522
_cell_length_b   6.512
_cell_length_c   6.540
_cell_angle_alpha   93.552
_cell_angle_beta   93.470
_cell_angle_gamma   93.682
_symmetry_Int_Tables_number   1
_cell_volume   276.086
_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  0.881  0.251  0.619  1.0
  Sr  Sr1  1  0.249  0.620  0.881  1.0
  Sr  Sr2  1  0.621  0.879  0.251  1.0
  Sr  Sr3  1  0.753  0.381  0.119  1.0
  Sr  Sr4  1  0.380  0.120  0.749  1.0
  Sr  Sr5  1  0.119  0.748  0.382  1.0
  Co  Co6  1  0.001  0.003  0.001  1.0
  Co  Co7  1  0.750  0.750  0.750  1.0
  Co  Co8  1  0.497  0.498  0.500  1.0
  Co  Co9  1  0.256  0.246  0.247  1.0
  O  O10  1  0.217  0.410  0.535  1.0
  O  O11  1  0.404  0.528  0.219  1.0
  O  O12  1  0.532  0.217  0.409  1.0
  O  O13  1  0.907  0.720  0.027  1.0
  O  O14  1  0.719  0.025  0.907  1.0
  O  O15  1  0.026  0.907  0.719  1.0
  O  O16  1  0.780  0.593  0.473  1.0
  O  O17  1  0.593  0.475  0.781  1.0
  O  O18  1  0.474  0.781  0.593  1.0
  O  O19  1  0.089  0.283  0.964  1.0
  O  O20  1  0.283  0.971  0.094  1.0
  O  O21  1  0.970  0.094  0.281  1.0
[/CIF]
.