The material described by LuTaO4 crystallizes in the monoclinic C2/c space group. Lu(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Ta(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Lu(1) and two equivalent Ta(1) atoms to form a mixture of distorted corner and edge-sharing OLu2Ta2 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Lu(1) and one Ta(1) atom. is represented by the CIF file [CIF]
data_LuTaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.389
_cell_length_b   6.389
_cell_length_c   5.010
_cell_angle_alpha   69.217
_cell_angle_beta   69.217
_cell_angle_gamma   114.760
_symmetry_Int_Tables_number   1
_cell_volume   139.823
_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  0.368  0.632  0.250  1.0
  Lu  Lu1  1  0.632  0.368  0.750  1.0
  Ta  Ta2  1  0.896  0.104  0.250  1.0
  Ta  Ta3  1  0.104  0.896  0.750  1.0
  O  O4  1  0.216  0.279  0.778  1.0
  O  O5  1  0.721  0.784  0.722  1.0
  O  O6  1  0.784  0.721  0.222  1.0
  O  O7  1  0.279  0.216  0.278  1.0
  O  O8  1  0.624  0.049  0.161  1.0
  O  O9  1  0.951  0.376  0.339  1.0
  O  O10  1  0.376  0.951  0.839  1.0
  O  O11  1  0.049  0.624  0.661  1.0
[/CIF]
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The material described by LuTaO4 crystallizes in the monoclinic C2/c space group. Lu(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Ta(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Lu(1) and two equivalent Ta(1) atoms to form a mixture of distorted corner and edge-sharing OLu2Ta2 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Lu(1) and one Ta(1) atom. is represented by the CIF file [CIF]
data_LuTaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.389
_cell_length_b   6.389
_cell_length_c   5.010
_cell_angle_alpha   69.217
_cell_angle_beta   69.217
_cell_angle_gamma   114.760
_symmetry_Int_Tables_number   1
_cell_volume   139.823
_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  0.368  0.632  0.250  1.0
  Lu  Lu1  1  0.632  0.368  0.750  1.0
  Ta  Ta2  1  0.896  0.104  0.250  1.0
  Ta  Ta3  1  0.104  0.896  0.750  1.0
  O  O4  1  0.216  0.279  0.778  1.0
  O  O5  1  0.721  0.784  0.722  1.0
  O  O6  1  0.784  0.721  0.222  1.0
  O  O7  1  0.279  0.216  0.278  1.0
  O  O8  1  0.624  0.049  0.161  1.0
  O  O9  1  0.951  0.376  0.339  1.0
  O  O10  1  0.376  0.951  0.839  1.0
  O  O11  1  0.049  0.624  0.661  1.0
[/CIF]
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