The material described by LuAlO3 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(2) atoms. In the second Lu site, Lu(2) is bonded in a body-centered cubic geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the second Al site, Al(2) is bonded in a distorted see-saw-like geometry to two equivalent O(1) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Lu(2) and two equivalent Al(1) atoms. In the second O site, O(4) is bonded to one Lu(2), two equivalent Lu(1), and one Al(2) atom to form a mixture of distorted corner and edge-sharing OLu3Al tetrahedra. In the third O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Lu(1), one Al(1), and one Al(2) atom. In the fourth O site, O(2) is bonded to one Lu(2), two equivalent Lu(1), and one Al(1) atom to form a mixture of distorted corner and edge-sharing OLu3Al tetrahedra. is represented by the CIF file [CIF]
data_LuAlO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.480
_cell_length_b   6.480
_cell_length_c   10.246
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.220
_symmetry_Int_Tables_number   1
_cell_volume   371.808
_cell_formula_units_Z   6
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
  Lu  Lu0  1  0.831  0.169  0.500  1.0
  Lu  Lu1  1  0.831  0.169  0.000  1.0
  Lu  Lu2  1  0.169  0.831  0.500  1.0
  Lu  Lu3  1  0.169  0.831  0.000  1.0
  Lu  Lu4  1  0.500  0.500  0.000  1.0
  Lu  Lu5  1  0.500  0.500  0.500  1.0
  Al  Al6  1  0.556  0.834  0.250  1.0
  Al  Al7  1  0.166  0.444  0.750  1.0
  Al  Al8  1  0.834  0.556  0.250  1.0
  Al  Al9  1  0.444  0.166  0.750  1.0
  Al  Al10  1  0.882  0.882  0.750  1.0
  Al  Al11  1  0.118  0.118  0.250  1.0
  O  O12  1  0.893  0.163  0.750  1.0
  O  O13  1  0.837  0.107  0.250  1.0
  O  O14  1  0.479  0.834  0.086  1.0
  O  O15  1  0.479  0.834  0.414  1.0
  O  O16  1  0.166  0.521  0.586  1.0
  O  O17  1  0.166  0.521  0.914  1.0
  O  O18  1  0.834  0.479  0.086  1.0
  O  O19  1  0.834  0.479  0.414  1.0
  O  O20  1  0.521  0.166  0.586  1.0
  O  O21  1  0.521  0.166  0.914  1.0
  O  O22  1  0.107  0.837  0.250  1.0
  O  O23  1  0.163  0.893  0.750  1.0
  O  O24  1  0.442  0.442  0.750  1.0
  O  O25  1  0.815  0.815  0.581  1.0
  O  O26  1  0.815  0.815  0.919  1.0
  O  O27  1  0.185  0.185  0.081  1.0
  O  O28  1  0.185  0.185  0.419  1.0
  O  O29  1  0.558  0.558  0.250  1.0
[/CIF]
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The material described by LuAlO3 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(2) atoms. In the second Lu site, Lu(2) is bonded in a body-centered cubic geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the second Al site, Al(2) is bonded in a distorted see-saw-like geometry to two equivalent O(1) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Lu(2) and two equivalent Al(1) atoms. In the second O site, O(4) is bonded to one Lu(2), two equivalent Lu(1), and one Al(2) atom to form a mixture of distorted corner and edge-sharing OLu3Al tetrahedra. In the third O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Lu(1), one Al(1), and one Al(2) atom. In the fourth O site, O(2) is bonded to one Lu(2), two equivalent Lu(1), and one Al(1) atom to form a mixture of distorted corner and edge-sharing OLu3Al tetrahedra. is represented by the CIF file [CIF]
data_LuAlO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.480
_cell_length_b   6.480
_cell_length_c   10.246
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.220
_symmetry_Int_Tables_number   1
_cell_volume   371.808
_cell_formula_units_Z   6
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
  Lu  Lu0  1  0.831  0.169  0.500  1.0
  Lu  Lu1  1  0.831  0.169  0.000  1.0
  Lu  Lu2  1  0.169  0.831  0.500  1.0
  Lu  Lu3  1  0.169  0.831  0.000  1.0
  Lu  Lu4  1  0.500  0.500  0.000  1.0
  Lu  Lu5  1  0.500  0.500  0.500  1.0
  Al  Al6  1  0.556  0.834  0.250  1.0
  Al  Al7  1  0.166  0.444  0.750  1.0
  Al  Al8  1  0.834  0.556  0.250  1.0
  Al  Al9  1  0.444  0.166  0.750  1.0
  Al  Al10  1  0.882  0.882  0.750  1.0
  Al  Al11  1  0.118  0.118  0.250  1.0
  O  O12  1  0.893  0.163  0.750  1.0
  O  O13  1  0.837  0.107  0.250  1.0
  O  O14  1  0.479  0.834  0.086  1.0
  O  O15  1  0.479  0.834  0.414  1.0
  O  O16  1  0.166  0.521  0.586  1.0
  O  O17  1  0.166  0.521  0.914  1.0
  O  O18  1  0.834  0.479  0.086  1.0
  O  O19  1  0.834  0.479  0.414  1.0
  O  O20  1  0.521  0.166  0.586  1.0
  O  O21  1  0.521  0.166  0.914  1.0
  O  O22  1  0.107  0.837  0.250  1.0
  O  O23  1  0.163  0.893  0.750  1.0
  O  O24  1  0.442  0.442  0.750  1.0
  O  O25  1  0.815  0.815  0.581  1.0
  O  O26  1  0.815  0.815  0.919  1.0
  O  O27  1  0.185  0.185  0.081  1.0
  O  O28  1  0.185  0.185  0.419  1.0
  O  O29  1  0.558  0.558  0.250  1.0
[/CIF]
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