The structure described by Sr6Co4O13 crystallizes in the orthorhombic Cmmm space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted q6 geometry to two equivalent O(4) and eight equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a distorted q6 geometry to two equivalent O(4) and eight equivalent O(1) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(2), and four equivalent O(1) atoms. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2) and four equivalent O(1) atoms to form corner-sharing CoO5 square pyramids. The corner-sharing octahedral tilt angles are 12°. In the second Co site, Co(2) is bonded to one O(3), one O(4), and four equivalent O(1) atoms to form CoO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra and corners with four equivalent Co(1)O5 square pyramids. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(4) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Co(2) atoms. In the second O site, O(1) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Co(1), and one Co(2) atom to form distorted OSr4Co2 octahedra that share corners with three equivalent O(2)Sr5Co octahedra, corners with three equivalent O(3)Sr5Co octahedra, corners with eight equivalent O(1)Sr4Co2 octahedra, edges with three equivalent O(1)Sr4Co2 octahedra,  a faceface with one O(2)Sr5Co octahedra,  a faceface with one O(3)Sr5Co octahedra, and faces with four equivalent O(1)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the third O site, O(2) is bonded to two equivalent Sr(4), three equivalent Sr(3), and one Co(1) atom to form distorted OSr5Co octahedra that share corners with four equivalent O(2)Sr5Co octahedra, corners with twelve equivalent O(1)Sr4Co2 octahedra, edges with two equivalent O(2)Sr5Co octahedra, edges with six equivalent O(3)Sr5Co octahedra, and faces with four equivalent O(1)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 14-52°. In the fourth O site, O(3) is bonded to two equivalent Sr(3), three equivalent Sr(4), and one Co(2) atom to form distorted OSr5Co octahedra that share corners with four equivalent O(3)Sr5Co octahedra, corners with twelve equivalent O(1)Sr4Co2 octahedra, edges with two equivalent O(3)Sr5Co octahedra, edges with six equivalent O(2)Sr5Co octahedra, and faces with four equivalent O(1)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 9-57°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr6Co4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.478
_cell_length_b   10.478
_cell_length_c   5.492
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   149.646
_symmetry_Int_Tables_number   1
_cell_volume   304.721
_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  0.500  0.000  1.0
  Sr  Sr1  1  0.000  0.000  0.500  1.0
  Sr  Sr2  1  0.179  0.821  0.500  1.0
  Sr  Sr3  1  0.682  0.318  0.000  1.0
  Sr  Sr4  1  0.318  0.682  0.000  1.0
  Sr  Sr5  1  0.821  0.179  0.500  1.0
  Co  Co6  1  0.393  0.607  0.500  1.0
  Co  Co7  1  0.906  0.094  0.000  1.0
  Co  Co8  1  0.094  0.906  0.000  1.0
  Co  Co9  1  0.607  0.393  0.500  1.0
  O  O10  1  0.649  0.829  0.739  1.0
  O  O11  1  0.171  0.351  0.261  1.0
  O  O12  1  0.829  0.649  0.739  1.0
  O  O13  1  0.351  0.171  0.261  1.0
  O  O14  1  0.171  0.351  0.739  1.0
  O  O15  1  0.649  0.829  0.261  1.0
  O  O16  1  0.351  0.171  0.739  1.0
  O  O17  1  0.829  0.649  0.261  1.0
  O  O18  1  0.302  0.698  0.500  1.0
  O  O19  1  0.808  0.192  0.000  1.0
  O  O20  1  0.192  0.808  0.000  1.0
  O  O21  1  0.698  0.302  0.500  1.0
  O  O22  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Sr6Co4O13 crystallizes in the orthorhombic Cmmm space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted q6 geometry to two equivalent O(4) and eight equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a distorted q6 geometry to two equivalent O(4) and eight equivalent O(1) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(2), and four equivalent O(1) atoms. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2) and four equivalent O(1) atoms to form corner-sharing CoO5 square pyramids. The corner-sharing octahedral tilt angles are 12°. In the second Co site, Co(2) is bonded to one O(3), one O(4), and four equivalent O(1) atoms to form CoO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra and corners with four equivalent Co(1)O5 square pyramids. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(4) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Co(2) atoms. In the second O site, O(1) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Co(1), and one Co(2) atom to form distorted OSr4Co2 octahedra that share corners with three equivalent O(2)Sr5Co octahedra, corners with three equivalent O(3)Sr5Co octahedra, corners with eight equivalent O(1)Sr4Co2 octahedra, edges with three equivalent O(1)Sr4Co2 octahedra,  a faceface with one O(2)Sr5Co octahedra,  a faceface with one O(3)Sr5Co octahedra, and faces with four equivalent O(1)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the third O site, O(2) is bonded to two equivalent Sr(4), three equivalent Sr(3), and one Co(1) atom to form distorted OSr5Co octahedra that share corners with four equivalent O(2)Sr5Co octahedra, corners with twelve equivalent O(1)Sr4Co2 octahedra, edges with two equivalent O(2)Sr5Co octahedra, edges with six equivalent O(3)Sr5Co octahedra, and faces with four equivalent O(1)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 14-52°. In the fourth O site, O(3) is bonded to two equivalent Sr(3), three equivalent Sr(4), and one Co(2) atom to form distorted OSr5Co octahedra that share corners with four equivalent O(3)Sr5Co octahedra, corners with twelve equivalent O(1)Sr4Co2 octahedra, edges with two equivalent O(3)Sr5Co octahedra, edges with six equivalent O(2)Sr5Co octahedra, and faces with four equivalent O(1)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 9-57°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr6Co4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.478
_cell_length_b   10.478
_cell_length_c   5.492
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   149.646
_symmetry_Int_Tables_number   1
_cell_volume   304.721
_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  0.500  0.000  1.0
  Sr  Sr1  1  0.000  0.000  0.500  1.0
  Sr  Sr2  1  0.179  0.821  0.500  1.0
  Sr  Sr3  1  0.682  0.318  0.000  1.0
  Sr  Sr4  1  0.318  0.682  0.000  1.0
  Sr  Sr5  1  0.821  0.179  0.500  1.0
  Co  Co6  1  0.393  0.607  0.500  1.0
  Co  Co7  1  0.906  0.094  0.000  1.0
  Co  Co8  1  0.094  0.906  0.000  1.0
  Co  Co9  1  0.607  0.393  0.500  1.0
  O  O10  1  0.649  0.829  0.739  1.0
  O  O11  1  0.171  0.351  0.261  1.0
  O  O12  1  0.829  0.649  0.739  1.0
  O  O13  1  0.351  0.171  0.261  1.0
  O  O14  1  0.171  0.351  0.739  1.0
  O  O15  1  0.649  0.829  0.261  1.0
  O  O16  1  0.351  0.171  0.739  1.0
  O  O17  1  0.829  0.649  0.261  1.0
  O  O18  1  0.302  0.698  0.500  1.0
  O  O19  1  0.808  0.192  0.000  1.0
  O  O20  1  0.192  0.808  0.000  1.0
  O  O21  1  0.698  0.302  0.500  1.0
  O  O22  1  0.000  0.000  0.000  1.0
[/CIF]
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