The crystal structure described by Ba2LaIrO6 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 12-coordinate geometry to four equivalent O(1) and eight equivalent O(2) atoms. La(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LaO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. Ir(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form IrO6 octahedra that share corners with six equivalent La(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to four equivalent Ba(1), one La(1), and one Ir(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to four equivalent Ba(1), one La(1), and one Ir(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2LaIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.100
_cell_length_b   6.100
_cell_length_c   6.147
_cell_angle_alpha   59.987
_cell_angle_beta   59.987
_cell_angle_gamma   59.919
_symmetry_Int_Tables_number   1
_cell_volume   161.577
_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  0.252  0.252  0.746  1.0
  Ba  Ba1  1  0.748  0.748  0.254  1.0
  La  La2  1  0.500  0.500  0.000  1.0
  Ir  Ir3  1  0.000  0.000  0.500  1.0
  O  O4  1  0.772  0.772  0.771  1.0
  O  O5  1  0.228  0.228  0.229  1.0
  O  O6  1  0.792  0.253  0.705  1.0
  O  O7  1  0.747  0.208  0.295  1.0
  O  O8  1  0.208  0.747  0.295  1.0
  O  O9  1  0.253  0.792  0.705  1.0
[/CIF]
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The crystal structure described by Ba2LaIrO6 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 12-coordinate geometry to four equivalent O(1) and eight equivalent O(2) atoms. La(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LaO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. Ir(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form IrO6 octahedra that share corners with six equivalent La(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to four equivalent Ba(1), one La(1), and one Ir(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to four equivalent Ba(1), one La(1), and one Ir(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2LaIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.100
_cell_length_b   6.100
_cell_length_c   6.147
_cell_angle_alpha   59.987
_cell_angle_beta   59.987
_cell_angle_gamma   59.919
_symmetry_Int_Tables_number   1
_cell_volume   161.577
_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  0.252  0.252  0.746  1.0
  Ba  Ba1  1  0.748  0.748  0.254  1.0
  La  La2  1  0.500  0.500  0.000  1.0
  Ir  Ir3  1  0.000  0.000  0.500  1.0
  O  O4  1  0.772  0.772  0.771  1.0
  O  O5  1  0.228  0.228  0.229  1.0
  O  O6  1  0.792  0.253  0.705  1.0
  O  O7  1  0.747  0.208  0.295  1.0
  O  O8  1  0.208  0.747  0.295  1.0
  O  O9  1  0.253  0.792  0.705  1.0
[/CIF]
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