data_BaLaTiFeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLaTiFeO6
_chemical_formula_sum   'Ba1 La1 Ti1 Fe1 O6'
_cell_volume   127.72
_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  1.0  1.0  1.0  1.0
  La  La1  1  1.0  1.0  1.0  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Fe  Fe3  1  1.0  1.0  1.0  1.0
  O  O4  1  1.0  1.0  0.97  1.0
  O  O5  1  1.0  1.0  0.02  1.0
  O  O6  1  1.0  0.02  1.0  1.0
  O  O7  1  1.0  0.97  1.0  1.0
  O  O8  1  0.02  1.0  1.0  1.0
  O  O9  1  0.97  1.0  1.0  1.0

data_BaLaTiFeO6
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   13.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaLaTiFeO6
_chemical_formula_sum   'Ba3 La3 Ti3 Fe3 O18'
_cell_volume   383.16
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  La  La1  3  0.0  0.0  0.0  1.0
  Ti  Ti2  3  0.0  0.0  0.0  1.0
  Fe  Fe3  3  0.0  0.0  0.0  1.0
  O  O4  9  0.01  0.02  0.99  1.0
  O  O5  9  0.02  0.01  0.01  1.0

BaLa(FeTi)O6 is Cyanogen Chloride-derived structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three BaLa(FeTi)O6 clusters. Ba(1) is bonded in a distorted single-bond geometry to one Fe(1) and three equivalent O(1) atoms. The Ba(1)-Fe(1) bond length is 0.02 Å. All Ba(1)-O(1) bond lengths are 0.13 Å. La(1) is bonded in a linear geometry to one Ti(1) and one Fe(1) atom. The La(1)-Ti(1) bond length is 0.02 Å. The La(1)-Fe(1) bond length is 0.02 Å. Ti(1) is bonded in a 4-coordinate geometry to one La(1) and three equivalent O(2) atoms. All Ti(1)-O(2) bond lengths are 0.11 Å. Fe(1) is bonded in a linear geometry to one Ba(1) and one La(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Ba(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Ti(1) atom.