The structure described by K2BaV2O7Cl crystallizes in the hexagonal P6_3/mmc space group. K(1) is bonded in a 10-coordinate geometry to nine equivalent O(2) and one Cl(1) atom. Ba(1) is bonded to three equivalent O(1), six equivalent O(2), and three equivalent Cl(1) atoms to form distorted BaCl3O9 cuboctahedra that share edges with six equivalent Ba(1)Cl3O9 cuboctahedra and edges with six equivalent V(1)O4 tetrahedra. V(1) is bonded to one O(1) and three equivalent O(2) atoms to form VO4 tetrahedra that share  a cornercorner with one V(1)O4 tetrahedra and edges with three equivalent Ba(1)Cl3O9 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to three equivalent Ba(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent K(1), one Ba(1), and one V(1) atom. Cl(1) is bonded to two equivalent K(1) and three equivalent Ba(1) atoms to form corner-sharing ClK2Ba3 trigonal bipyramids. is represented by the CIF card [CIF]
data_K2BaV2ClO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.902
_cell_length_b   5.902
_cell_length_c   15.400
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   464.614
_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
  K  K0  1  0.333  0.667  0.546  1.0
  K  K1  1  0.667  0.333  0.454  1.0
  K  K2  1  0.667  0.333  0.046  1.0
  K  K3  1  0.333  0.667  0.954  1.0
  Ba  Ba4  1  0.333  0.667  0.250  1.0
  Ba  Ba5  1  0.667  0.333  0.750  1.0
  V  V6  1  0.000  0.000  0.132  1.0
  V  V7  1  0.000  0.000  0.868  1.0
  V  V8  1  0.000  0.000  0.632  1.0
  V  V9  1  0.000  0.000  0.368  1.0
  Cl  Cl10  1  0.333  0.667  0.750  1.0
  Cl  Cl11  1  0.667  0.333  0.250  1.0
  O  O12  1  0.000  0.000  0.250  1.0
  O  O13  1  0.000  0.000  0.750  1.0
  O  O14  1  0.159  0.318  0.096  1.0
  O  O15  1  0.841  0.682  0.904  1.0
  O  O16  1  0.682  0.841  0.096  1.0
  O  O17  1  0.841  0.682  0.596  1.0
  O  O18  1  0.318  0.159  0.904  1.0
  O  O19  1  0.159  0.318  0.404  1.0
  O  O20  1  0.159  0.841  0.096  1.0
  O  O21  1  0.318  0.159  0.596  1.0
  O  O22  1  0.841  0.159  0.904  1.0
  O  O23  1  0.682  0.841  0.404  1.0
  O  O24  1  0.841  0.159  0.596  1.0
  O  O25  1  0.159  0.841  0.404  1.0
[/CIF]
.
The structure described by K2BaV2O7Cl crystallizes in the hexagonal P6_3/mmc space group. K(1) is bonded in a 10-coordinate geometry to nine equivalent O(2) and one Cl(1) atom. Ba(1) is bonded to three equivalent O(1), six equivalent O(2), and three equivalent Cl(1) atoms to form distorted BaCl3O9 cuboctahedra that share edges with six equivalent Ba(1)Cl3O9 cuboctahedra and edges with six equivalent V(1)O4 tetrahedra. V(1) is bonded to one O(1) and three equivalent O(2) atoms to form VO4 tetrahedra that share  a cornercorner with one V(1)O4 tetrahedra and edges with three equivalent Ba(1)Cl3O9 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to three equivalent Ba(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent K(1), one Ba(1), and one V(1) atom. Cl(1) is bonded to two equivalent K(1) and three equivalent Ba(1) atoms to form corner-sharing ClK2Ba3 trigonal bipyramids. is represented by the CIF card [CIF]
data_K2BaV2ClO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.902
_cell_length_b   5.902
_cell_length_c   15.400
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   464.614
_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
  K  K0  1  0.333  0.667  0.546  1.0
  K  K1  1  0.667  0.333  0.454  1.0
  K  K2  1  0.667  0.333  0.046  1.0
  K  K3  1  0.333  0.667  0.954  1.0
  Ba  Ba4  1  0.333  0.667  0.250  1.0
  Ba  Ba5  1  0.667  0.333  0.750  1.0
  V  V6  1  0.000  0.000  0.132  1.0
  V  V7  1  0.000  0.000  0.868  1.0
  V  V8  1  0.000  0.000  0.632  1.0
  V  V9  1  0.000  0.000  0.368  1.0
  Cl  Cl10  1  0.333  0.667  0.750  1.0
  Cl  Cl11  1  0.667  0.333  0.250  1.0
  O  O12  1  0.000  0.000  0.250  1.0
  O  O13  1  0.000  0.000  0.750  1.0
  O  O14  1  0.159  0.318  0.096  1.0
  O  O15  1  0.841  0.682  0.904  1.0
  O  O16  1  0.682  0.841  0.096  1.0
  O  O17  1  0.841  0.682  0.596  1.0
  O  O18  1  0.318  0.159  0.904  1.0
  O  O19  1  0.159  0.318  0.404  1.0
  O  O20  1  0.159  0.841  0.096  1.0
  O  O21  1  0.318  0.159  0.596  1.0
  O  O22  1  0.841  0.159  0.904  1.0
  O  O23  1  0.682  0.841  0.404  1.0
  O  O24  1  0.841  0.159  0.596  1.0
  O  O25  1  0.159  0.841  0.404  1.0
[/CIF]
.