The crystal structure described by Lu3AlO6 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LuO7 pentagonal bipyramids that share  a cornercorner with one Lu(2)O7 pentagonal bipyramid, corners with four equivalent Lu(1)O7 pentagonal bipyramids, corners with three equivalent Al(1)O4 tetrahedra, edges with two equivalent Lu(1)O7 pentagonal bipyramids, edges with three equivalent Lu(2)O7 pentagonal bipyramids,  an edgeedge with one Al(1)O4 tetrahedra, and  a faceface with one Lu(1)O7 pentagonal bipyramid. In the second Lu site, Lu(2) is bonded to one O(4), two equivalent O(2), and four equivalent O(1) atoms to form distorted LuO7 pentagonal bipyramids that share corners with two equivalent Lu(1)O7 pentagonal bipyramids,  a cornercorner with one Al(1)O4 tetrahedra, edges with two equivalent Lu(2)O7 pentagonal bipyramids, edges with six equivalent Lu(1)O7 pentagonal bipyramids, and  an edgeedge with one Al(1)O4 tetrahedra. Al(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form AlO4 tetrahedra that share  a cornercorner with one Lu(2)O7 pentagonal bipyramid, corners with six equivalent Lu(1)O7 pentagonal bipyramids,  an edgeedge with one Lu(2)O7 pentagonal bipyramid, and edges with two equivalent Lu(1)O7 pentagonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Lu(1) and two equivalent Lu(2) atoms to form OLu4 tetrahedra that share corners with two equivalent O(1)Lu4 tetrahedra, corners with four equivalent O(4)Lu3Al tetrahedra, corners with six equivalent O(2)Lu3Al trigonal pyramids, edges with three equivalent O(1)Lu4 tetrahedra, and  an edgeedge with one O(2)Lu3Al trigonal pyramid. In the second O site, O(2) is bonded to one Lu(2), two equivalent Lu(1), and one Al(1) atom to form distorted OLu3Al trigonal pyramids that share corners with two equivalent O(4)Lu3Al tetrahedra, corners with six equivalent O(1)Lu4 tetrahedra, corners with two equivalent O(2)Lu3Al trigonal pyramids,  an edgeedge with one O(4)Lu3Al tetrahedra,  an edgeedge with one O(1)Lu4 tetrahedra, and  an edgeedge with one O(2)Lu3Al trigonal pyramid. In the third O site, O(3) is bonded in a distorted single-bond geometry to four equivalent Lu(1) and one Al(1) atom. In the fourth O site, O(4) is bonded to one Lu(2), two equivalent Lu(1), and one Al(1) atom to form distorted OLu3Al tetrahedra that share corners with eight equivalent O(1)Lu4 tetrahedra, corners with four equivalent O(2)Lu3Al trigonal pyramids, and edges with two equivalent O(2)Lu3Al trigonal pyramids. is represented by the CIF file [CIF]
data_Lu3AlO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.948
_cell_length_b   6.948
_cell_length_c   5.275
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   102.894
_symmetry_Int_Tables_number   1
_cell_volume   248.258
_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  0.087  0.299  0.476  1.0
  Lu  Lu1  1  0.299  0.087  0.976  1.0
  Lu  Lu2  1  0.601  0.399  0.428  1.0
  Lu  Lu3  1  0.399  0.601  0.928  1.0
  Lu  Lu4  1  0.913  0.701  0.976  1.0
  Lu  Lu5  1  0.701  0.913  0.476  1.0
  Al  Al6  1  0.805  0.195  0.012  1.0
  Al  Al7  1  0.195  0.805  0.512  1.0
  O  O8  1  0.322  0.357  0.202  1.0
  O  O9  1  0.357  0.322  0.702  1.0
  O  O10  1  0.580  0.109  0.182  1.0
  O  O11  1  0.109  0.580  0.682  1.0
  O  O12  1  0.956  0.044  0.148  1.0
  O  O13  1  0.786  0.214  0.678  1.0
  O  O14  1  0.214  0.786  0.178  1.0
  O  O15  1  0.044  0.956  0.648  1.0
  O  O16  1  0.891  0.420  0.182  1.0
  O  O17  1  0.420  0.891  0.682  1.0
  O  O18  1  0.643  0.678  0.202  1.0
  O  O19  1  0.678  0.643  0.702  1.0
[/CIF]
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The crystal structure described by Lu3AlO6 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LuO7 pentagonal bipyramids that share  a cornercorner with one Lu(2)O7 pentagonal bipyramid, corners with four equivalent Lu(1)O7 pentagonal bipyramids, corners with three equivalent Al(1)O4 tetrahedra, edges with two equivalent Lu(1)O7 pentagonal bipyramids, edges with three equivalent Lu(2)O7 pentagonal bipyramids,  an edgeedge with one Al(1)O4 tetrahedra, and  a faceface with one Lu(1)O7 pentagonal bipyramid. In the second Lu site, Lu(2) is bonded to one O(4), two equivalent O(2), and four equivalent O(1) atoms to form distorted LuO7 pentagonal bipyramids that share corners with two equivalent Lu(1)O7 pentagonal bipyramids,  a cornercorner with one Al(1)O4 tetrahedra, edges with two equivalent Lu(2)O7 pentagonal bipyramids, edges with six equivalent Lu(1)O7 pentagonal bipyramids, and  an edgeedge with one Al(1)O4 tetrahedra. Al(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form AlO4 tetrahedra that share  a cornercorner with one Lu(2)O7 pentagonal bipyramid, corners with six equivalent Lu(1)O7 pentagonal bipyramids,  an edgeedge with one Lu(2)O7 pentagonal bipyramid, and edges with two equivalent Lu(1)O7 pentagonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Lu(1) and two equivalent Lu(2) atoms to form OLu4 tetrahedra that share corners with two equivalent O(1)Lu4 tetrahedra, corners with four equivalent O(4)Lu3Al tetrahedra, corners with six equivalent O(2)Lu3Al trigonal pyramids, edges with three equivalent O(1)Lu4 tetrahedra, and  an edgeedge with one O(2)Lu3Al trigonal pyramid. In the second O site, O(2) is bonded to one Lu(2), two equivalent Lu(1), and one Al(1) atom to form distorted OLu3Al trigonal pyramids that share corners with two equivalent O(4)Lu3Al tetrahedra, corners with six equivalent O(1)Lu4 tetrahedra, corners with two equivalent O(2)Lu3Al trigonal pyramids,  an edgeedge with one O(4)Lu3Al tetrahedra,  an edgeedge with one O(1)Lu4 tetrahedra, and  an edgeedge with one O(2)Lu3Al trigonal pyramid. In the third O site, O(3) is bonded in a distorted single-bond geometry to four equivalent Lu(1) and one Al(1) atom. In the fourth O site, O(4) is bonded to one Lu(2), two equivalent Lu(1), and one Al(1) atom to form distorted OLu3Al tetrahedra that share corners with eight equivalent O(1)Lu4 tetrahedra, corners with four equivalent O(2)Lu3Al trigonal pyramids, and edges with two equivalent O(2)Lu3Al trigonal pyramids. is represented by the CIF file [CIF]
data_Lu3AlO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.948
_cell_length_b   6.948
_cell_length_c   5.275
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   102.894
_symmetry_Int_Tables_number   1
_cell_volume   248.258
_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  0.087  0.299  0.476  1.0
  Lu  Lu1  1  0.299  0.087  0.976  1.0
  Lu  Lu2  1  0.601  0.399  0.428  1.0
  Lu  Lu3  1  0.399  0.601  0.928  1.0
  Lu  Lu4  1  0.913  0.701  0.976  1.0
  Lu  Lu5  1  0.701  0.913  0.476  1.0
  Al  Al6  1  0.805  0.195  0.012  1.0
  Al  Al7  1  0.195  0.805  0.512  1.0
  O  O8  1  0.322  0.357  0.202  1.0
  O  O9  1  0.357  0.322  0.702  1.0
  O  O10  1  0.580  0.109  0.182  1.0
  O  O11  1  0.109  0.580  0.682  1.0
  O  O12  1  0.956  0.044  0.148  1.0
  O  O13  1  0.786  0.214  0.678  1.0
  O  O14  1  0.214  0.786  0.178  1.0
  O  O15  1  0.044  0.956  0.648  1.0
  O  O16  1  0.891  0.420  0.182  1.0
  O  O17  1  0.420  0.891  0.682  1.0
  O  O18  1  0.643  0.678  0.202  1.0
  O  O19  1  0.678  0.643  0.702  1.0
[/CIF]
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