The compound described by Ba2La2O5 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 6-coordinate geometry to one O(2), two equivalent O(1), and three equivalent O(3) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form LaO6 octahedra that share corners with four equivalent La(1)O6 octahedra and corners with two equivalent La(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 26°. In the second La site, La(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LaO4 tetrahedra that share corners with two equivalent La(1)O6 octahedra and corners with two equivalent La(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1), one La(1), and one La(2) atom. In the second O site, O(2) is bonded to two equivalent Ba(1) and two equivalent La(2) atoms to form distorted corner-sharing OBa2La2 tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Ba(1) and two equivalent La(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2La2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.609
_cell_length_b   6.677
_cell_length_c   17.449
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   769.931
_cell_formula_units_Z   4
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  0.034  0.520  0.110  1.0
  Ba  Ba1  1  0.034  0.520  0.390  1.0
  Ba  Ba2  1  0.534  0.980  0.110  1.0
  Ba  Ba3  1  0.534  0.980  0.390  1.0
  Ba  Ba4  1  0.466  0.020  0.610  1.0
  Ba  Ba5  1  0.466  0.020  0.890  1.0
  Ba  Ba6  1  0.966  0.480  0.610  1.0
  Ba  Ba7  1  0.966  0.480  0.890  1.0
  La  La8  1  0.500  0.500  0.000  1.0
  La  La9  1  0.500  0.500  0.500  1.0
  La  La10  1  0.449  0.552  0.750  1.0
  La  La11  1  0.949  0.948  0.750  1.0
  La  La12  1  0.000  0.000  0.500  1.0
  La  La13  1  0.000  0.000  0.000  1.0
  La  La14  1  0.051  0.052  0.250  1.0
  La  La15  1  0.551  0.448  0.250  1.0
  O  O16  1  0.448  0.593  0.140  1.0
  O  O17  1  0.448  0.593  0.360  1.0
  O  O18  1  0.095  0.629  0.750  1.0
  O  O19  1  0.212  0.713  0.523  1.0
  O  O20  1  0.212  0.713  0.977  1.0
  O  O21  1  0.712  0.787  0.523  1.0
  O  O22  1  0.712  0.787  0.977  1.0
  O  O23  1  0.595  0.871  0.750  1.0
  O  O24  1  0.948  0.907  0.140  1.0
  O  O25  1  0.948  0.907  0.360  1.0
  O  O26  1  0.052  0.093  0.640  1.0
  O  O27  1  0.052  0.093  0.860  1.0
  O  O28  1  0.405  0.129  0.250  1.0
  O  O29  1  0.288  0.213  0.023  1.0
  O  O30  1  0.288  0.213  0.477  1.0
  O  O31  1  0.788  0.287  0.023  1.0
  O  O32  1  0.788  0.287  0.477  1.0
  O  O33  1  0.905  0.371  0.250  1.0
  O  O34  1  0.552  0.407  0.640  1.0
  O  O35  1  0.552  0.407  0.860  1.0
[/CIF]
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The compound described by Ba2La2O5 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 6-coordinate geometry to one O(2), two equivalent O(1), and three equivalent O(3) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form LaO6 octahedra that share corners with four equivalent La(1)O6 octahedra and corners with two equivalent La(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 26°. In the second La site, La(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LaO4 tetrahedra that share corners with two equivalent La(1)O6 octahedra and corners with two equivalent La(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1), one La(1), and one La(2) atom. In the second O site, O(2) is bonded to two equivalent Ba(1) and two equivalent La(2) atoms to form distorted corner-sharing OBa2La2 tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Ba(1) and two equivalent La(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2La2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.609
_cell_length_b   6.677
_cell_length_c   17.449
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   769.931
_cell_formula_units_Z   4
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  0.034  0.520  0.110  1.0
  Ba  Ba1  1  0.034  0.520  0.390  1.0
  Ba  Ba2  1  0.534  0.980  0.110  1.0
  Ba  Ba3  1  0.534  0.980  0.390  1.0
  Ba  Ba4  1  0.466  0.020  0.610  1.0
  Ba  Ba5  1  0.466  0.020  0.890  1.0
  Ba  Ba6  1  0.966  0.480  0.610  1.0
  Ba  Ba7  1  0.966  0.480  0.890  1.0
  La  La8  1  0.500  0.500  0.000  1.0
  La  La9  1  0.500  0.500  0.500  1.0
  La  La10  1  0.449  0.552  0.750  1.0
  La  La11  1  0.949  0.948  0.750  1.0
  La  La12  1  0.000  0.000  0.500  1.0
  La  La13  1  0.000  0.000  0.000  1.0
  La  La14  1  0.051  0.052  0.250  1.0
  La  La15  1  0.551  0.448  0.250  1.0
  O  O16  1  0.448  0.593  0.140  1.0
  O  O17  1  0.448  0.593  0.360  1.0
  O  O18  1  0.095  0.629  0.750  1.0
  O  O19  1  0.212  0.713  0.523  1.0
  O  O20  1  0.212  0.713  0.977  1.0
  O  O21  1  0.712  0.787  0.523  1.0
  O  O22  1  0.712  0.787  0.977  1.0
  O  O23  1  0.595  0.871  0.750  1.0
  O  O24  1  0.948  0.907  0.140  1.0
  O  O25  1  0.948  0.907  0.360  1.0
  O  O26  1  0.052  0.093  0.640  1.0
  O  O27  1  0.052  0.093  0.860  1.0
  O  O28  1  0.405  0.129  0.250  1.0
  O  O29  1  0.288  0.213  0.023  1.0
  O  O30  1  0.288  0.213  0.477  1.0
  O  O31  1  0.788  0.287  0.023  1.0
  O  O32  1  0.788  0.287  0.477  1.0
  O  O33  1  0.905  0.371  0.250  1.0
  O  O34  1  0.552  0.407  0.640  1.0
  O  O35  1  0.552  0.407  0.860  1.0
[/CIF]
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