The crystal structure described by Lu3AlO6 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. Lu(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted LuO6 pentagonal pyramids that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra, corners with four equivalent Lu(1)O6 pentagonal pyramids,  an edgeedge with one Al(1)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra, and edges with four equivalent Lu(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 33-44°. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to six equivalent O(1) atoms to form AlO6 octahedra that share corners with six equivalent Lu(1)O6 pentagonal pyramids and edges with six equivalent Lu(1)O6 pentagonal pyramids. In the second Al site, Al(2) is bonded to six equivalent O(2) atoms to form AlO6 octahedra that share corners with six equivalent Lu(1)O6 pentagonal pyramids and edges with six equivalent Lu(1)O6 pentagonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Lu(1) and one Al(1) atom to form a mixture of edge and corner-sharing OLu3Al trigonal pyramids. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to three equivalent Lu(1) and one Al(2) atom. is represented by the CIF card [CIF]
data_Lu3AlO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.299
_cell_length_b   6.299
_cell_length_c   6.299
_cell_angle_alpha   92.012
_cell_angle_beta   92.012
_cell_angle_gamma   92.012
_symmetry_Int_Tables_number   1
_cell_volume   249.419
_cell_formula_units_Z   2
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  0.746  0.930  0.438  1.0
  Lu  Lu1  1  0.070  0.562  0.254  1.0
  Lu  Lu2  1  0.562  0.254  0.070  1.0
  Lu  Lu3  1  0.438  0.746  0.930  1.0
  Lu  Lu4  1  0.930  0.438  0.746  1.0
  Lu  Lu5  1  0.254  0.070  0.562  1.0
  Al  Al6  1  0.000  0.000  0.000  1.0
  Al  Al7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.704  0.930  0.076  1.0
  O  O9  1  0.070  0.924  0.296  1.0
  O  O10  1  0.415  0.542  0.205  1.0
  O  O11  1  0.924  0.296  0.070  1.0
  O  O12  1  0.458  0.795  0.585  1.0
  O  O13  1  0.795  0.585  0.458  1.0
  O  O14  1  0.205  0.415  0.542  1.0
  O  O15  1  0.542  0.205  0.415  1.0
  O  O16  1  0.076  0.704  0.930  1.0
  O  O17  1  0.585  0.458  0.795  1.0
  O  O18  1  0.930  0.076  0.704  1.0
  O  O19  1  0.296  0.070  0.924  1.0
[/CIF]
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The crystal structure described by Lu3AlO6 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. Lu(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted LuO6 pentagonal pyramids that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra, corners with four equivalent Lu(1)O6 pentagonal pyramids,  an edgeedge with one Al(1)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra, and edges with four equivalent Lu(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 33-44°. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to six equivalent O(1) atoms to form AlO6 octahedra that share corners with six equivalent Lu(1)O6 pentagonal pyramids and edges with six equivalent Lu(1)O6 pentagonal pyramids. In the second Al site, Al(2) is bonded to six equivalent O(2) atoms to form AlO6 octahedra that share corners with six equivalent Lu(1)O6 pentagonal pyramids and edges with six equivalent Lu(1)O6 pentagonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Lu(1) and one Al(1) atom to form a mixture of edge and corner-sharing OLu3Al trigonal pyramids. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to three equivalent Lu(1) and one Al(2) atom. is represented by the CIF card [CIF]
data_Lu3AlO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.299
_cell_length_b   6.299
_cell_length_c   6.299
_cell_angle_alpha   92.012
_cell_angle_beta   92.012
_cell_angle_gamma   92.012
_symmetry_Int_Tables_number   1
_cell_volume   249.419
_cell_formula_units_Z   2
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  0.746  0.930  0.438  1.0
  Lu  Lu1  1  0.070  0.562  0.254  1.0
  Lu  Lu2  1  0.562  0.254  0.070  1.0
  Lu  Lu3  1  0.438  0.746  0.930  1.0
  Lu  Lu4  1  0.930  0.438  0.746  1.0
  Lu  Lu5  1  0.254  0.070  0.562  1.0
  Al  Al6  1  0.000  0.000  0.000  1.0
  Al  Al7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.704  0.930  0.076  1.0
  O  O9  1  0.070  0.924  0.296  1.0
  O  O10  1  0.415  0.542  0.205  1.0
  O  O11  1  0.924  0.296  0.070  1.0
  O  O12  1  0.458  0.795  0.585  1.0
  O  O13  1  0.795  0.585  0.458  1.0
  O  O14  1  0.205  0.415  0.542  1.0
  O  O15  1  0.542  0.205  0.415  1.0
  O  O16  1  0.076  0.704  0.930  1.0
  O  O17  1  0.585  0.458  0.795  1.0
  O  O18  1  0.930  0.076  0.704  1.0
  O  O19  1  0.296  0.070  0.924  1.0
[/CIF]
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