The structure described by Ba5Cr3O12Cl crystallizes in the hexagonal P6_3/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded to one O(1), one O(2), four equivalent O(3), and one Cl(1) atom to form distorted BaClO6 pentagonal bipyramids that share corners with six equivalent Ba(2)ClO6 pentagonal bipyramids, corners with four equivalent Cr(1)O4 tetrahedra, and  an edgeedge with one Cr(1)O4 tetrahedra. Cr(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form CrO4 tetrahedra that share corners with four equivalent Ba(2)ClO6 pentagonal bipyramids and  an edgeedge with one Ba(2)ClO6 pentagonal bipyramid. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one Cr(1) atom. In the second O site, O(2) is bonded to one Ba(2), two equivalent Ba(1), and one Cr(1) atom to form distorted edge-sharing OBa3Cr tetrahedra. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Ba(1), two equivalent Ba(2), and one Cr(1) atom. Cl(1) is bonded in a trigonal planar geometry to three equivalent Ba(2) atoms. is represented by the CIF file [CIF]
data_Ba5Cr3ClO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.931
_cell_length_b   10.874
_cell_length_c   10.874
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   812.187
_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  0.999  0.667  0.333  1.0
  Ba  Ba1  1  0.001  0.333  0.667  1.0
  Ba  Ba2  1  0.499  0.333  0.667  1.0
  Ba  Ba3  1  0.501  0.667  0.333  1.0
  Ba  Ba4  1  0.750  0.733  0.007  1.0
  Ba  Ba5  1  0.250  0.267  0.993  1.0
  Ba  Ba6  1  0.750  0.274  0.267  1.0
  Ba  Ba7  1  0.250  0.726  0.733  1.0
  Ba  Ba8  1  0.750  0.993  0.726  1.0
  Ba  Ba9  1  0.250  0.007  0.274  1.0
  Cr  Cr10  1  0.750  0.600  0.635  1.0
  Cr  Cr11  1  0.250  0.400  0.365  1.0
  Cr  Cr12  1  0.750  0.035  0.400  1.0
  Cr  Cr13  1  0.250  0.965  0.600  1.0
  Cr  Cr14  1  0.750  0.365  0.965  1.0
  Cr  Cr15  1  0.250  0.635  0.035  1.0
  Cl  Cl16  1  0.750  0.000  0.000  1.0
  Cl  Cl17  1  0.250  0.000  0.000  1.0
  O  O18  1  0.750  0.851  0.332  1.0
  O  O19  1  0.250  0.149  0.668  1.0
  O  O20  1  0.750  0.481  0.149  1.0
  O  O21  1  0.250  0.519  0.851  1.0
  O  O22  1  0.750  0.668  0.519  1.0
  O  O23  1  0.250  0.332  0.481  1.0
  O  O24  1  0.750  0.415  0.547  1.0
  O  O25  1  0.250  0.585  0.453  1.0
  O  O26  1  0.750  0.132  0.585  1.0
  O  O27  1  0.250  0.868  0.415  1.0
  O  O28  1  0.750  0.453  0.868  1.0
  O  O29  1  0.250  0.547  0.132  1.0
  O  O30  1  0.928  0.649  0.739  1.0
  O  O31  1  0.072  0.351  0.261  1.0
  O  O32  1  0.928  0.090  0.351  1.0
  O  O33  1  0.428  0.351  0.261  1.0
  O  O34  1  0.072  0.910  0.649  1.0
  O  O35  1  0.572  0.649  0.739  1.0
  O  O36  1  0.928  0.261  0.910  1.0
  O  O37  1  0.428  0.910  0.649  1.0
  O  O38  1  0.072  0.739  0.090  1.0
  O  O39  1  0.572  0.090  0.351  1.0
  O  O40  1  0.428  0.739  0.090  1.0
  O  O41  1  0.572  0.261  0.910  1.0
[/CIF]
.
The structure described by Ba5Cr3O12Cl crystallizes in the hexagonal P6_3/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded to one O(1), one O(2), four equivalent O(3), and one Cl(1) atom to form distorted BaClO6 pentagonal bipyramids that share corners with six equivalent Ba(2)ClO6 pentagonal bipyramids, corners with four equivalent Cr(1)O4 tetrahedra, and  an edgeedge with one Cr(1)O4 tetrahedra. Cr(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form CrO4 tetrahedra that share corners with four equivalent Ba(2)ClO6 pentagonal bipyramids and  an edgeedge with one Ba(2)ClO6 pentagonal bipyramid. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one Cr(1) atom. In the second O site, O(2) is bonded to one Ba(2), two equivalent Ba(1), and one Cr(1) atom to form distorted edge-sharing OBa3Cr tetrahedra. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Ba(1), two equivalent Ba(2), and one Cr(1) atom. Cl(1) is bonded in a trigonal planar geometry to three equivalent Ba(2) atoms. is represented by the CIF file [CIF]
data_Ba5Cr3ClO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.931
_cell_length_b   10.874
_cell_length_c   10.874
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   812.187
_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  0.999  0.667  0.333  1.0
  Ba  Ba1  1  0.001  0.333  0.667  1.0
  Ba  Ba2  1  0.499  0.333  0.667  1.0
  Ba  Ba3  1  0.501  0.667  0.333  1.0
  Ba  Ba4  1  0.750  0.733  0.007  1.0
  Ba  Ba5  1  0.250  0.267  0.993  1.0
  Ba  Ba6  1  0.750  0.274  0.267  1.0
  Ba  Ba7  1  0.250  0.726  0.733  1.0
  Ba  Ba8  1  0.750  0.993  0.726  1.0
  Ba  Ba9  1  0.250  0.007  0.274  1.0
  Cr  Cr10  1  0.750  0.600  0.635  1.0
  Cr  Cr11  1  0.250  0.400  0.365  1.0
  Cr  Cr12  1  0.750  0.035  0.400  1.0
  Cr  Cr13  1  0.250  0.965  0.600  1.0
  Cr  Cr14  1  0.750  0.365  0.965  1.0
  Cr  Cr15  1  0.250  0.635  0.035  1.0
  Cl  Cl16  1  0.750  0.000  0.000  1.0
  Cl  Cl17  1  0.250  0.000  0.000  1.0
  O  O18  1  0.750  0.851  0.332  1.0
  O  O19  1  0.250  0.149  0.668  1.0
  O  O20  1  0.750  0.481  0.149  1.0
  O  O21  1  0.250  0.519  0.851  1.0
  O  O22  1  0.750  0.668  0.519  1.0
  O  O23  1  0.250  0.332  0.481  1.0
  O  O24  1  0.750  0.415  0.547  1.0
  O  O25  1  0.250  0.585  0.453  1.0
  O  O26  1  0.750  0.132  0.585  1.0
  O  O27  1  0.250  0.868  0.415  1.0
  O  O28  1  0.750  0.453  0.868  1.0
  O  O29  1  0.250  0.547  0.132  1.0
  O  O30  1  0.928  0.649  0.739  1.0
  O  O31  1  0.072  0.351  0.261  1.0
  O  O32  1  0.928  0.090  0.351  1.0
  O  O33  1  0.428  0.351  0.261  1.0
  O  O34  1  0.072  0.910  0.649  1.0
  O  O35  1  0.572  0.649  0.739  1.0
  O  O36  1  0.928  0.261  0.910  1.0
  O  O37  1  0.428  0.910  0.649  1.0
  O  O38  1  0.072  0.739  0.090  1.0
  O  O39  1  0.572  0.090  0.351  1.0
  O  O40  1  0.428  0.739  0.090  1.0
  O  O41  1  0.572  0.261  0.910  1.0
[/CIF]
.