The compound described by Lu3TaO7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to one O(3), two equivalent O(1), and four equivalent O(2) atoms to form distorted LuO7 pentagonal bipyramids that share corners with two equivalent Ta(1)O6 octahedra, corners with three equivalent Lu(1)O7 pentagonal bipyramids, edges with two equivalent Ta(1)O6 octahedra, and edges with two equivalent Lu(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 45°. In the second Lu site, Lu(2) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Ta(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with four equivalent Lu(1)O7 pentagonal bipyramids, and edges with four equivalent Lu(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 34°. There are three 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 a mixture of edge and corner-sharing OLu4 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Lu(2), two equivalent Lu(1), and one Ta(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Lu(1) and two equivalent Ta(1) atoms. is represented by the CIF card [CIF]
data_Lu3TaO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.344
_cell_length_b   6.344
_cell_length_c   7.439
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   110.002
_symmetry_Int_Tables_number   1
_cell_volume   281.386
_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  0.511  0.044  0.250  1.0
  Lu  Lu1  1  0.956  0.489  0.750  1.0
  Lu  Lu2  1  0.000  0.000  0.000  1.0
  Lu  Lu3  1  0.000  0.000  0.500  1.0
  Lu  Lu4  1  0.489  0.956  0.750  1.0
  Lu  Lu5  1  0.044  0.511  0.250  1.0
  Ta  Ta6  1  0.500  0.500  0.000  1.0
  Ta  Ta7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.883  0.151  0.250  1.0
  O  O9  1  0.849  0.117  0.750  1.0
  O  O10  1  0.829  0.567  0.032  1.0
  O  O11  1  0.829  0.567  0.468  1.0
  O  O12  1  0.433  0.172  0.968  1.0
  O  O13  1  0.433  0.172  0.532  1.0
  O  O14  1  0.578  0.578  0.750  1.0
  O  O15  1  0.422  0.422  0.250  1.0
  O  O16  1  0.567  0.829  0.032  1.0
  O  O17  1  0.172  0.433  0.532  1.0
  O  O18  1  0.172  0.433  0.968  1.0
  O  O19  1  0.567  0.829  0.468  1.0
  O  O20  1  0.117  0.849  0.750  1.0
  O  O21  1  0.151  0.883  0.250  1.0
[/CIF]
.
The compound described by Lu3TaO7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to one O(3), two equivalent O(1), and four equivalent O(2) atoms to form distorted LuO7 pentagonal bipyramids that share corners with two equivalent Ta(1)O6 octahedra, corners with three equivalent Lu(1)O7 pentagonal bipyramids, edges with two equivalent Ta(1)O6 octahedra, and edges with two equivalent Lu(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 45°. In the second Lu site, Lu(2) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Ta(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with four equivalent Lu(1)O7 pentagonal bipyramids, and edges with four equivalent Lu(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 34°. There are three 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 a mixture of edge and corner-sharing OLu4 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Lu(2), two equivalent Lu(1), and one Ta(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Lu(1) and two equivalent Ta(1) atoms. is represented by the CIF card [CIF]
data_Lu3TaO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.344
_cell_length_b   6.344
_cell_length_c   7.439
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   110.002
_symmetry_Int_Tables_number   1
_cell_volume   281.386
_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  0.511  0.044  0.250  1.0
  Lu  Lu1  1  0.956  0.489  0.750  1.0
  Lu  Lu2  1  0.000  0.000  0.000  1.0
  Lu  Lu3  1  0.000  0.000  0.500  1.0
  Lu  Lu4  1  0.489  0.956  0.750  1.0
  Lu  Lu5  1  0.044  0.511  0.250  1.0
  Ta  Ta6  1  0.500  0.500  0.000  1.0
  Ta  Ta7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.883  0.151  0.250  1.0
  O  O9  1  0.849  0.117  0.750  1.0
  O  O10  1  0.829  0.567  0.032  1.0
  O  O11  1  0.829  0.567  0.468  1.0
  O  O12  1  0.433  0.172  0.968  1.0
  O  O13  1  0.433  0.172  0.532  1.0
  O  O14  1  0.578  0.578  0.750  1.0
  O  O15  1  0.422  0.422  0.250  1.0
  O  O16  1  0.567  0.829  0.032  1.0
  O  O17  1  0.172  0.433  0.532  1.0
  O  O18  1  0.172  0.433  0.968  1.0
  O  O19  1  0.567  0.829  0.468  1.0
  O  O20  1  0.117  0.849  0.750  1.0
  O  O21  1  0.151  0.883  0.250  1.0
[/CIF]
.