The compound described by BaLaAlO4 crystallizes in the orthorhombic P2_12_12_1 space group. Ba(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), three equivalent O(3), and three equivalent O(4) atoms. La(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Al(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to two equivalent Ba(1), two equivalent La(1), and one Al(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent La(1), and one Al(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to three equivalent Ba(1), two equivalent La(1), and one Al(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to three equivalent Ba(1), two equivalent La(1), and one Al(1) atom. is represented by the CIF card [CIF]
data_BaLaAlO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.881
_cell_length_b   7.342
_cell_length_c   9.928
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   428.663
_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  0.013  0.083  0.919  1.0
  Ba  Ba1  1  0.487  0.917  0.419  1.0
  Ba  Ba2  1  0.513  0.417  0.081  1.0
  Ba  Ba3  1  0.987  0.583  0.581  1.0
  La  La4  1  0.513  0.254  0.698  1.0
  La  La5  1  0.487  0.754  0.802  1.0
  La  La6  1  0.987  0.746  0.198  1.0
  La  La7  1  0.013  0.246  0.302  1.0
  Al  Al8  1  0.019  0.526  0.916  1.0
  Al  Al9  1  0.519  0.974  0.084  1.0
  Al  Al10  1  0.981  0.026  0.584  1.0
  Al  Al11  1  0.481  0.474  0.416  1.0
  O  O12  1  0.759  0.491  0.827  1.0
  O  O13  1  0.259  0.009  0.173  1.0
  O  O14  1  0.241  0.991  0.673  1.0
  O  O15  1  0.741  0.509  0.327  1.0
  O  O16  1  0.128  0.746  0.952  1.0
  O  O17  1  0.628  0.754  0.048  1.0
  O  O18  1  0.872  0.246  0.548  1.0
  O  O19  1  0.372  0.254  0.452  1.0
  O  O20  1  0.240  0.434  0.813  1.0
  O  O21  1  0.740  0.066  0.187  1.0
  O  O22  1  0.760  0.934  0.687  1.0
  O  O23  1  0.260  0.566  0.313  1.0
  O  O24  1  0.494  0.587  0.575  1.0
  O  O25  1  0.994  0.913  0.425  1.0
  O  O26  1  0.506  0.087  0.925  1.0
  O  O27  1  0.006  0.413  0.075  1.0
[/CIF]
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The compound described by BaLaAlO4 crystallizes in the orthorhombic P2_12_12_1 space group. Ba(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), three equivalent O(3), and three equivalent O(4) atoms. La(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Al(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to two equivalent Ba(1), two equivalent La(1), and one Al(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent La(1), and one Al(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to three equivalent Ba(1), two equivalent La(1), and one Al(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to three equivalent Ba(1), two equivalent La(1), and one Al(1) atom. is represented by the CIF card [CIF]
data_BaLaAlO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.881
_cell_length_b   7.342
_cell_length_c   9.928
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   428.663
_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  0.013  0.083  0.919  1.0
  Ba  Ba1  1  0.487  0.917  0.419  1.0
  Ba  Ba2  1  0.513  0.417  0.081  1.0
  Ba  Ba3  1  0.987  0.583  0.581  1.0
  La  La4  1  0.513  0.254  0.698  1.0
  La  La5  1  0.487  0.754  0.802  1.0
  La  La6  1  0.987  0.746  0.198  1.0
  La  La7  1  0.013  0.246  0.302  1.0
  Al  Al8  1  0.019  0.526  0.916  1.0
  Al  Al9  1  0.519  0.974  0.084  1.0
  Al  Al10  1  0.981  0.026  0.584  1.0
  Al  Al11  1  0.481  0.474  0.416  1.0
  O  O12  1  0.759  0.491  0.827  1.0
  O  O13  1  0.259  0.009  0.173  1.0
  O  O14  1  0.241  0.991  0.673  1.0
  O  O15  1  0.741  0.509  0.327  1.0
  O  O16  1  0.128  0.746  0.952  1.0
  O  O17  1  0.628  0.754  0.048  1.0
  O  O18  1  0.872  0.246  0.548  1.0
  O  O19  1  0.372  0.254  0.452  1.0
  O  O20  1  0.240  0.434  0.813  1.0
  O  O21  1  0.740  0.066  0.187  1.0
  O  O22  1  0.760  0.934  0.687  1.0
  O  O23  1  0.260  0.566  0.313  1.0
  O  O24  1  0.494  0.587  0.575  1.0
  O  O25  1  0.994  0.913  0.425  1.0
  O  O26  1  0.506  0.087  0.925  1.0
  O  O27  1  0.006  0.413  0.075  1.0
[/CIF]
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