The compound described by Ba5Co5O14 crystallizes in the triclinic P-1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to one O(4), one O(5), one O(6), three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(1), one O(2), one O(3), one O(7), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. In the third Ba site, Ba(3) is bonded to two equivalent O(4), two equivalent O(5), two equivalent O(6), and six equivalent O(7) atoms to form BaO12 cuboctahedra that share edges with six equivalent Ba(3)O12 cuboctahedra, edges with six equivalent Co(1)O4 tetrahedra, and faces with two equivalent Co(2)O6 octahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form CoO4 tetrahedra that share corners with three equivalent Co(2)O6 octahedra and edges with three equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 13°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share corners with three equivalent Co(1)O4 tetrahedra,  a faceface with one Ba(3)O12 cuboctahedra, and  a faceface with one Co(3)O6 octahedra. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form face-sharing CoO6 octahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Ba(2), three equivalent Ba(1), one Co(2), and one Co(3) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded to one Ba(2), three equivalent Ba(1), one Co(2), and one Co(3) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the third O site, O(3) is bonded to one Ba(2), three equivalent Ba(1), one Co(2), and one Co(3) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Co(1), and one Co(2) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Co(1), and one Co(2) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Co(1), and one Co(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Ba(2), three equivalent Ba(3), and one Co(1) atom. is represented by the CIF file [CIF]
data_Ba5Co5O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.663
_cell_length_b   5.661
_cell_length_c   11.909
_cell_angle_alpha   89.925
_cell_angle_beta   90.098
_cell_angle_gamma   119.858
_symmetry_Int_Tables_number   1
_cell_volume   331.111
_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
  Ba  Ba0  1  0.666  0.334  0.582  1.0
  Ba  Ba1  1  0.334  0.666  0.418  1.0
  Ba  Ba2  1  0.667  0.333  0.227  1.0
  Ba  Ba3  1  0.333  0.667  0.773  1.0
  Ba  Ba4  1  1.000  1.000  1.000  1.0
  Co  Co5  1  0.667  0.333  0.859  1.0
  Co  Co6  1  0.333  0.667  0.141  1.0
  Co  Co7  1  0.999  0.001  0.708  1.0
  Co  Co8  1  0.001  0.999  0.292  1.0
  Co  Co9  1  0.000  0.000  0.500  1.0
  O  O10  1  0.857  0.143  0.398  1.0
  O  O11  1  0.855  0.708  0.397  1.0
  O  O12  1  0.293  0.146  0.397  1.0
  O  O13  1  0.707  0.854  0.603  1.0
  O  O14  1  0.145  0.292  0.603  1.0
  O  O15  1  0.143  0.857  0.602  1.0
  O  O16  1  0.839  0.161  0.802  1.0
  O  O17  1  0.839  0.677  0.802  1.0
  O  O18  1  0.323  0.161  0.802  1.0
  O  O19  1  0.677  0.839  0.198  1.0
  O  O20  1  0.333  0.667  0.995  1.0
  O  O21  1  0.667  0.333  0.005  1.0
  O  O22  1  0.161  0.839  0.198  1.0
  O  O23  1  0.161  0.323  0.198  1.0
[/CIF]
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The compound described by Ba5Co5O14 crystallizes in the triclinic P-1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to one O(4), one O(5), one O(6), three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(1), one O(2), one O(3), one O(7), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. In the third Ba site, Ba(3) is bonded to two equivalent O(4), two equivalent O(5), two equivalent O(6), and six equivalent O(7) atoms to form BaO12 cuboctahedra that share edges with six equivalent Ba(3)O12 cuboctahedra, edges with six equivalent Co(1)O4 tetrahedra, and faces with two equivalent Co(2)O6 octahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form CoO4 tetrahedra that share corners with three equivalent Co(2)O6 octahedra and edges with three equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 13°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share corners with three equivalent Co(1)O4 tetrahedra,  a faceface with one Ba(3)O12 cuboctahedra, and  a faceface with one Co(3)O6 octahedra. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form face-sharing CoO6 octahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Ba(2), three equivalent Ba(1), one Co(2), and one Co(3) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded to one Ba(2), three equivalent Ba(1), one Co(2), and one Co(3) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the third O site, O(3) is bonded to one Ba(2), three equivalent Ba(1), one Co(2), and one Co(3) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Co(1), and one Co(2) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Co(1), and one Co(2) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Co(1), and one Co(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Ba(2), three equivalent Ba(3), and one Co(1) atom. is represented by the CIF file [CIF]
data_Ba5Co5O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.663
_cell_length_b   5.661
_cell_length_c   11.909
_cell_angle_alpha   89.925
_cell_angle_beta   90.098
_cell_angle_gamma   119.858
_symmetry_Int_Tables_number   1
_cell_volume   331.111
_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
  Ba  Ba0  1  0.666  0.334  0.582  1.0
  Ba  Ba1  1  0.334  0.666  0.418  1.0
  Ba  Ba2  1  0.667  0.333  0.227  1.0
  Ba  Ba3  1  0.333  0.667  0.773  1.0
  Ba  Ba4  1  1.000  1.000  1.000  1.0
  Co  Co5  1  0.667  0.333  0.859  1.0
  Co  Co6  1  0.333  0.667  0.141  1.0
  Co  Co7  1  0.999  0.001  0.708  1.0
  Co  Co8  1  0.001  0.999  0.292  1.0
  Co  Co9  1  0.000  0.000  0.500  1.0
  O  O10  1  0.857  0.143  0.398  1.0
  O  O11  1  0.855  0.708  0.397  1.0
  O  O12  1  0.293  0.146  0.397  1.0
  O  O13  1  0.707  0.854  0.603  1.0
  O  O14  1  0.145  0.292  0.603  1.0
  O  O15  1  0.143  0.857  0.602  1.0
  O  O16  1  0.839  0.161  0.802  1.0
  O  O17  1  0.839  0.677  0.802  1.0
  O  O18  1  0.323  0.161  0.802  1.0
  O  O19  1  0.677  0.839  0.198  1.0
  O  O20  1  0.333  0.667  0.995  1.0
  O  O21  1  0.667  0.333  0.005  1.0
  O  O22  1  0.161  0.839  0.198  1.0
  O  O23  1  0.161  0.323  0.198  1.0
[/CIF]
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