The material structure described by Lu2Ga2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the second Lu site, Lu(2) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form LuO12 cuboctahedra that share corners with four equivalent Lu(2)O12 cuboctahedra, faces with four equivalent Lu(2)O12 cuboctahedra, and faces with eight equivalent Ga(1)O5 square pyramids. Ga(1) is bonded to one O(2) and four equivalent O(1) atoms to form GaO5 square pyramids that share corners with five equivalent Ga(1)O5 square pyramids and faces with four equivalent Lu(2)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Lu(1), two equivalent Lu(2), and two equivalent Ga(1) atoms to form a mixture of distorted corner, edge, and face-sharing OLu4Ga2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Lu(2) and two equivalent Ga(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu2Ga2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.889
_cell_length_b   3.889
_cell_length_c   6.729
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   101.794
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Lu  Lu1  1  0.000  0.000  0.500  1.0
  Ga  Ga2  1  0.500  0.500  0.202  1.0
  Ga  Ga3  1  0.500  0.500  0.798  1.0
  O  O4  1  0.500  0.000  0.234  1.0
  O  O5  1  0.500  0.000  0.766  1.0
  O  O6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.000  0.500  0.234  1.0
  O  O8  1  0.000  0.500  0.766  1.0
[/CIF]
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The material structure described by Lu2Ga2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the second Lu site, Lu(2) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form LuO12 cuboctahedra that share corners with four equivalent Lu(2)O12 cuboctahedra, faces with four equivalent Lu(2)O12 cuboctahedra, and faces with eight equivalent Ga(1)O5 square pyramids. Ga(1) is bonded to one O(2) and four equivalent O(1) atoms to form GaO5 square pyramids that share corners with five equivalent Ga(1)O5 square pyramids and faces with four equivalent Lu(2)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Lu(1), two equivalent Lu(2), and two equivalent Ga(1) atoms to form a mixture of distorted corner, edge, and face-sharing OLu4Ga2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Lu(2) and two equivalent Ga(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu2Ga2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.889
_cell_length_b   3.889
_cell_length_c   6.729
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   101.794
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Lu  Lu1  1  0.000  0.000  0.500  1.0
  Ga  Ga2  1  0.500  0.500  0.202  1.0
  Ga  Ga3  1  0.500  0.500  0.798  1.0
  O  O4  1  0.500  0.000  0.234  1.0
  O  O5  1  0.500  0.000  0.766  1.0
  O  O6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.000  0.500  0.234  1.0
  O  O8  1  0.000  0.500  0.766  1.0
[/CIF]
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