The material described by Ba5Co4PtO13Cl crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to three equivalent O(1), six equivalent O(2), and one Cl(1) atom. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to three equivalent O(2) and nine equivalent O(1) atoms. In the third Ba site, Ba(3) is bonded to three equivalent O(3), six equivalent O(2), and three equivalent Cl(1) atoms to form BaCl3O9 cuboctahedra that share edges with six equivalent Ba(3)Cl3O9 cuboctahedra, edges with six equivalent Co(1)O4 tetrahedra, and faces with two equivalent Co(2)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3) and three equivalent O(2) atoms to form CoO4 tetrahedra that share corners with three equivalent Co(2)O6 octahedra,  a cornercorner with one Co(1)O4 tetrahedra, and edges with three equivalent Ba(3)Cl3O9 cuboctahedra. The corner-sharing octahedral tilt angles are 13°. In the second Co site, Co(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CoO6 octahedra that share corners with three equivalent Co(1)O4 tetrahedra,  a faceface with one Ba(3)Cl3O9 cuboctahedra, and  a faceface with one Pt(1)O6 octahedra. Pt(1) is bonded to six equivalent O(1) atoms to form PtO6 octahedra that share faces with two equivalent Co(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(2) is bonded in a distorted linear geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one Co(1), and one Co(2) atom. In the second O site, O(3) is bonded in a linear geometry to three equivalent Ba(3) and two equivalent Co(1) atoms. In the third O site, O(1) is bonded to one Ba(1), three equivalent Ba(2), one Co(2), and one Pt(1) atom to form distorted OBa4CoPt octahedra that share corners with eleven equivalent O(1)Ba4CoPt octahedra,  a cornercorner with one Cl(1)Ba5 trigonal bipyramid, edges with two equivalent O(1)Ba4CoPt octahedra, and faces with six equivalent O(1)Ba4CoPt octahedra. The corner-sharing octahedral tilt angles range from 0-61°. Cl(1) is bonded to two equivalent Ba(1) and three equivalent Ba(3) atoms to form ClBa5 trigonal bipyramids that share corners with six equivalent O(1)Ba4CoPt octahedra and corners with six equivalent Cl(1)Ba5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 43°. is represented by the CIF file [CIF]
data_Ba5Co4PtClO13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.827
_cell_length_b   5.827
_cell_length_c   25.345
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   745.183
_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
  Ba  Ba0  1  0.333  0.667  0.630  1.0
  Ba  Ba1  1  0.667  0.333  0.370  1.0
  Ba  Ba2  1  0.667  0.333  0.130  1.0
  Ba  Ba3  1  0.333  0.667  0.870  1.0
  Ba  Ba4  1  0.333  0.667  0.040  1.0
  Ba  Ba5  1  0.667  0.333  0.960  1.0
  Ba  Ba6  1  0.667  0.333  0.540  1.0
  Ba  Ba7  1  0.333  0.667  0.460  1.0
  Ba  Ba8  1  0.000  0.000  0.750  1.0
  Ba  Ba9  1  0.000  0.000  0.250  1.0
  Co  Co10  1  0.333  0.667  0.178  1.0
  Co  Co11  1  0.667  0.333  0.822  1.0
  Co  Co12  1  0.667  0.333  0.678  1.0
  Co  Co13  1  0.333  0.667  0.322  1.0
  Co  Co14  1  0.000  0.000  0.393  1.0
  Co  Co15  1  0.000  0.000  0.607  1.0
  Co  Co16  1  0.000  0.000  0.893  1.0
  Co  Co17  1  0.000  0.000  0.107  1.0
  Pt  Pt18  1  0.000  0.000  0.000  1.0
  Pt  Pt19  1  0.000  0.000  0.500  1.0
  Cl  Cl20  1  0.333  0.667  0.750  1.0
  Cl  Cl21  1  0.667  0.333  0.250  1.0
  O  O22  1  0.694  0.847  0.552  1.0
  O  O23  1  0.153  0.847  0.552  1.0
  O  O24  1  0.153  0.306  0.552  1.0
  O  O25  1  0.306  0.153  0.448  1.0
  O  O26  1  0.847  0.153  0.448  1.0
  O  O27  1  0.847  0.694  0.448  1.0
  O  O28  1  0.306  0.153  0.052  1.0
  O  O29  1  0.847  0.153  0.052  1.0
  O  O30  1  0.847  0.694  0.052  1.0
  O  O31  1  0.694  0.847  0.948  1.0
  O  O32  1  0.153  0.847  0.948  1.0
  O  O33  1  0.153  0.306  0.948  1.0
  O  O34  1  0.326  0.163  0.651  1.0
  O  O35  1  0.837  0.163  0.651  1.0
  O  O36  1  0.837  0.674  0.651  1.0
  O  O37  1  0.674  0.837  0.349  1.0
  O  O38  1  0.163  0.837  0.349  1.0
  O  O39  1  0.163  0.326  0.349  1.0
  O  O40  1  0.674  0.837  0.151  1.0
  O  O41  1  0.163  0.837  0.151  1.0
  O  O42  1  0.163  0.326  0.151  1.0
  O  O43  1  0.326  0.163  0.849  1.0
  O  O44  1  0.837  0.163  0.849  1.0
  O  O45  1  0.837  0.674  0.849  1.0
  O  O46  1  0.333  0.667  0.250  1.0
  O  O47  1  0.667  0.333  0.750  1.0
[/CIF]
.
The material described by Ba5Co4PtO13Cl crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to three equivalent O(1), six equivalent O(2), and one Cl(1) atom. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to three equivalent O(2) and nine equivalent O(1) atoms. In the third Ba site, Ba(3) is bonded to three equivalent O(3), six equivalent O(2), and three equivalent Cl(1) atoms to form BaCl3O9 cuboctahedra that share edges with six equivalent Ba(3)Cl3O9 cuboctahedra, edges with six equivalent Co(1)O4 tetrahedra, and faces with two equivalent Co(2)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3) and three equivalent O(2) atoms to form CoO4 tetrahedra that share corners with three equivalent Co(2)O6 octahedra,  a cornercorner with one Co(1)O4 tetrahedra, and edges with three equivalent Ba(3)Cl3O9 cuboctahedra. The corner-sharing octahedral tilt angles are 13°. In the second Co site, Co(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CoO6 octahedra that share corners with three equivalent Co(1)O4 tetrahedra,  a faceface with one Ba(3)Cl3O9 cuboctahedra, and  a faceface with one Pt(1)O6 octahedra. Pt(1) is bonded to six equivalent O(1) atoms to form PtO6 octahedra that share faces with two equivalent Co(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(2) is bonded in a distorted linear geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one Co(1), and one Co(2) atom. In the second O site, O(3) is bonded in a linear geometry to three equivalent Ba(3) and two equivalent Co(1) atoms. In the third O site, O(1) is bonded to one Ba(1), three equivalent Ba(2), one Co(2), and one Pt(1) atom to form distorted OBa4CoPt octahedra that share corners with eleven equivalent O(1)Ba4CoPt octahedra,  a cornercorner with one Cl(1)Ba5 trigonal bipyramid, edges with two equivalent O(1)Ba4CoPt octahedra, and faces with six equivalent O(1)Ba4CoPt octahedra. The corner-sharing octahedral tilt angles range from 0-61°. Cl(1) is bonded to two equivalent Ba(1) and three equivalent Ba(3) atoms to form ClBa5 trigonal bipyramids that share corners with six equivalent O(1)Ba4CoPt octahedra and corners with six equivalent Cl(1)Ba5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 43°. is represented by the CIF file [CIF]
data_Ba5Co4PtClO13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.827
_cell_length_b   5.827
_cell_length_c   25.345
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   745.183
_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
  Ba  Ba0  1  0.333  0.667  0.630  1.0
  Ba  Ba1  1  0.667  0.333  0.370  1.0
  Ba  Ba2  1  0.667  0.333  0.130  1.0
  Ba  Ba3  1  0.333  0.667  0.870  1.0
  Ba  Ba4  1  0.333  0.667  0.040  1.0
  Ba  Ba5  1  0.667  0.333  0.960  1.0
  Ba  Ba6  1  0.667  0.333  0.540  1.0
  Ba  Ba7  1  0.333  0.667  0.460  1.0
  Ba  Ba8  1  0.000  0.000  0.750  1.0
  Ba  Ba9  1  0.000  0.000  0.250  1.0
  Co  Co10  1  0.333  0.667  0.178  1.0
  Co  Co11  1  0.667  0.333  0.822  1.0
  Co  Co12  1  0.667  0.333  0.678  1.0
  Co  Co13  1  0.333  0.667  0.322  1.0
  Co  Co14  1  0.000  0.000  0.393  1.0
  Co  Co15  1  0.000  0.000  0.607  1.0
  Co  Co16  1  0.000  0.000  0.893  1.0
  Co  Co17  1  0.000  0.000  0.107  1.0
  Pt  Pt18  1  0.000  0.000  0.000  1.0
  Pt  Pt19  1  0.000  0.000  0.500  1.0
  Cl  Cl20  1  0.333  0.667  0.750  1.0
  Cl  Cl21  1  0.667  0.333  0.250  1.0
  O  O22  1  0.694  0.847  0.552  1.0
  O  O23  1  0.153  0.847  0.552  1.0
  O  O24  1  0.153  0.306  0.552  1.0
  O  O25  1  0.306  0.153  0.448  1.0
  O  O26  1  0.847  0.153  0.448  1.0
  O  O27  1  0.847  0.694  0.448  1.0
  O  O28  1  0.306  0.153  0.052  1.0
  O  O29  1  0.847  0.153  0.052  1.0
  O  O30  1  0.847  0.694  0.052  1.0
  O  O31  1  0.694  0.847  0.948  1.0
  O  O32  1  0.153  0.847  0.948  1.0
  O  O33  1  0.153  0.306  0.948  1.0
  O  O34  1  0.326  0.163  0.651  1.0
  O  O35  1  0.837  0.163  0.651  1.0
  O  O36  1  0.837  0.674  0.651  1.0
  O  O37  1  0.674  0.837  0.349  1.0
  O  O38  1  0.163  0.837  0.349  1.0
  O  O39  1  0.163  0.326  0.349  1.0
  O  O40  1  0.674  0.837  0.151  1.0
  O  O41  1  0.163  0.837  0.151  1.0
  O  O42  1  0.163  0.326  0.151  1.0
  O  O43  1  0.326  0.163  0.849  1.0
  O  O44  1  0.837  0.163  0.849  1.0
  O  O45  1  0.837  0.674  0.849  1.0
  O  O46  1  0.333  0.667  0.250  1.0
  O  O47  1  0.667  0.333  0.750  1.0
[/CIF]
.