The material described by LaAlO3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(5), two equivalent O(3), and two equivalent O(6) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(3), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing AlO4 tetrahedra. In the second Al site, Al(2) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form corner-sharing AlO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one La(1), two equivalent La(2), one Al(1), and one Al(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one La(1), two equivalent La(2), and one Al(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(1), and one Al(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one La(1), one Al(1), and one Al(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one La(1), two equivalent La(2), and one Al(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one La(2), two equivalent La(1), and one Al(2) atom. is represented by the CIF card [CIF]
data_LaAlO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.054
_cell_length_b   7.664
_cell_length_c   13.574
_cell_angle_alpha   64.737
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   569.581
_cell_formula_units_Z   8
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
  La  La0  1  0.895  0.775  0.631  1.0
  La  La1  1  0.592  0.261  0.149  1.0
  La  La2  1  0.395  0.225  0.869  1.0
  La  La3  1  0.092  0.739  0.351  1.0
  La  La4  1  0.908  0.261  0.649  1.0
  La  La5  1  0.605  0.775  0.131  1.0
  La  La6  1  0.408  0.739  0.851  1.0
  La  La7  1  0.105  0.225  0.369  1.0
  Al  Al8  1  0.865  0.448  0.878  1.0
  Al  Al9  1  0.095  0.146  0.096  1.0
  Al  Al10  1  0.365  0.552  0.622  1.0
  Al  Al11  1  0.595  0.854  0.404  1.0
  Al  Al12  1  0.405  0.146  0.596  1.0
  Al  Al13  1  0.635  0.448  0.378  1.0
  Al  Al14  1  0.905  0.854  0.904  1.0
  Al  Al15  1  0.135  0.552  0.122  1.0
  O  O16  1  0.099  0.298  0.167  1.0
  O  O17  1  0.614  0.395  0.952  1.0
  O  O18  1  0.321  0.575  0.745  1.0
  O  O19  1  0.581  0.694  0.544  1.0
  O  O20  1  0.364  0.001  0.344  1.0
  O  O21  1  0.081  0.306  0.956  1.0
  O  O22  1  0.859  0.959  0.399  1.0
  O  O23  1  0.821  0.425  0.755  1.0
  O  O24  1  0.114  0.605  0.548  1.0
  O  O25  1  0.359  0.041  0.101  1.0
  O  O26  1  0.864  0.999  0.156  1.0
  O  O27  1  0.401  0.298  0.667  1.0
  O  O28  1  0.599  0.702  0.333  1.0
  O  O29  1  0.136  0.001  0.844  1.0
  O  O30  1  0.641  0.959  0.899  1.0
  O  O31  1  0.886  0.395  0.452  1.0
  O  O32  1  0.179  0.575  0.245  1.0
  O  O33  1  0.141  0.041  0.601  1.0
  O  O34  1  0.919  0.694  0.044  1.0
  O  O35  1  0.636  0.999  0.656  1.0
  O  O36  1  0.419  0.306  0.456  1.0
  O  O37  1  0.679  0.425  0.255  1.0
  O  O38  1  0.386  0.605  0.048  1.0
  O  O39  1  0.901  0.702  0.833  1.0
[/CIF]
.
The material described by LaAlO3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(5), two equivalent O(3), and two equivalent O(6) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(3), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing AlO4 tetrahedra. In the second Al site, Al(2) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form corner-sharing AlO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one La(1), two equivalent La(2), one Al(1), and one Al(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one La(1), two equivalent La(2), and one Al(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(1), and one Al(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one La(1), one Al(1), and one Al(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one La(1), two equivalent La(2), and one Al(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one La(2), two equivalent La(1), and one Al(2) atom. is represented by the CIF card [CIF]
data_LaAlO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.054
_cell_length_b   7.664
_cell_length_c   13.574
_cell_angle_alpha   64.737
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   569.581
_cell_formula_units_Z   8
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
  La  La0  1  0.895  0.775  0.631  1.0
  La  La1  1  0.592  0.261  0.149  1.0
  La  La2  1  0.395  0.225  0.869  1.0
  La  La3  1  0.092  0.739  0.351  1.0
  La  La4  1  0.908  0.261  0.649  1.0
  La  La5  1  0.605  0.775  0.131  1.0
  La  La6  1  0.408  0.739  0.851  1.0
  La  La7  1  0.105  0.225  0.369  1.0
  Al  Al8  1  0.865  0.448  0.878  1.0
  Al  Al9  1  0.095  0.146  0.096  1.0
  Al  Al10  1  0.365  0.552  0.622  1.0
  Al  Al11  1  0.595  0.854  0.404  1.0
  Al  Al12  1  0.405  0.146  0.596  1.0
  Al  Al13  1  0.635  0.448  0.378  1.0
  Al  Al14  1  0.905  0.854  0.904  1.0
  Al  Al15  1  0.135  0.552  0.122  1.0
  O  O16  1  0.099  0.298  0.167  1.0
  O  O17  1  0.614  0.395  0.952  1.0
  O  O18  1  0.321  0.575  0.745  1.0
  O  O19  1  0.581  0.694  0.544  1.0
  O  O20  1  0.364  0.001  0.344  1.0
  O  O21  1  0.081  0.306  0.956  1.0
  O  O22  1  0.859  0.959  0.399  1.0
  O  O23  1  0.821  0.425  0.755  1.0
  O  O24  1  0.114  0.605  0.548  1.0
  O  O25  1  0.359  0.041  0.101  1.0
  O  O26  1  0.864  0.999  0.156  1.0
  O  O27  1  0.401  0.298  0.667  1.0
  O  O28  1  0.599  0.702  0.333  1.0
  O  O29  1  0.136  0.001  0.844  1.0
  O  O30  1  0.641  0.959  0.899  1.0
  O  O31  1  0.886  0.395  0.452  1.0
  O  O32  1  0.179  0.575  0.245  1.0
  O  O33  1  0.141  0.041  0.601  1.0
  O  O34  1  0.919  0.694  0.044  1.0
  O  O35  1  0.636  0.999  0.656  1.0
  O  O36  1  0.419  0.306  0.456  1.0
  O  O37  1  0.679  0.425  0.255  1.0
  O  O38  1  0.386  0.605  0.048  1.0
  O  O39  1  0.901  0.702  0.833  1.0
[/CIF]
.