The compound described by Ba2LaTaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. La(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LaO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-22°. Ta(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TaO6 octahedra that share corners with six equivalent La(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-22°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one La(1), and one Ta(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one La(1), and one Ta(1) atom. is represented by the CIF card [CIF]
data_Ba2LaTaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.089
_cell_length_b   6.089
_cell_length_c   6.137
_cell_angle_alpha   90.359
_cell_angle_beta   119.378
_cell_angle_gamma   119.951
_symmetry_Int_Tables_number   1
_cell_volume   162.016
_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  0.506  0.752  0.258  1.0
  Ba  Ba1  1  0.494  0.248  0.742  1.0
  La  La2  1  0.000  0.000  0.000  1.0
  Ta  Ta3  1  0.000  0.500  0.500  1.0
  O  O4  1  0.544  0.306  0.311  1.0
  O  O5  1  0.994  0.233  0.689  1.0
  O  O6  1  0.456  0.694  0.689  1.0
  O  O7  1  0.006  0.767  0.311  1.0
  O  O8  1  0.067  0.727  0.793  1.0
  O  O9  1  0.933  0.273  0.207  1.0
[/CIF]
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The compound described by Ba2LaTaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. La(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LaO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-22°. Ta(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TaO6 octahedra that share corners with six equivalent La(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-22°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one La(1), and one Ta(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one La(1), and one Ta(1) atom. is represented by the CIF card [CIF]
data_Ba2LaTaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.089
_cell_length_b   6.089
_cell_length_c   6.137
_cell_angle_alpha   90.359
_cell_angle_beta   119.378
_cell_angle_gamma   119.951
_symmetry_Int_Tables_number   1
_cell_volume   162.016
_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  0.506  0.752  0.258  1.0
  Ba  Ba1  1  0.494  0.248  0.742  1.0
  La  La2  1  0.000  0.000  0.000  1.0
  Ta  Ta3  1  0.000  0.500  0.500  1.0
  O  O4  1  0.544  0.306  0.311  1.0
  O  O5  1  0.994  0.233  0.689  1.0
  O  O6  1  0.456  0.694  0.689  1.0
  O  O7  1  0.006  0.767  0.311  1.0
  O  O8  1  0.067  0.727  0.793  1.0
  O  O9  1  0.933  0.273  0.207  1.0
[/CIF]
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