The compound described by UTa2O7 crystallizes in the orthorhombic Imma space group. U(1) is bonded to two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms to form distorted UO8 hexagonal bipyramids that share edges with two equivalent U(1)O8 hexagonal bipyramids, edges with two equivalent Ta(1)O6 octahedra, and edges with four equivalent Ta(2)O6 octahedra. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with four equivalent Ta(2)O6 octahedra, and edges with two equivalent U(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 35-44°. In the second Ta site, Ta(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with two equivalent Ta(2)O6 octahedra, corners with four equivalent Ta(1)O6 octahedra, and edges with four equivalent U(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 44°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one U(1), one Ta(1), and one Ta(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent U(1) and two equivalent Ta(2) atoms. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent U(1) atoms. is represented by the CIF card [CIF]
data_UTa2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.445
_cell_length_b   7.445
_cell_length_c   7.445
_cell_angle_alpha   120.644
_cell_angle_beta   119.624
_cell_angle_gamma   89.771
_symmetry_Int_Tables_number   1
_cell_volume   291.233
_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
  U  U0  1  0.500  0.500  0.000  1.0
  U  U1  1  0.000  0.500  0.500  1.0
  Ta  Ta2  1  0.500  0.000  0.500  1.0
  Ta  Ta3  1  0.000  0.000  0.000  1.0
  Ta  Ta4  1  0.000  0.000  0.500  1.0
  Ta  Ta5  1  0.000  0.500  0.000  1.0
  O  O6  1  0.305  0.055  0.250  1.0
  O  O7  1  0.317  0.084  0.640  1.0
  O  O8  1  0.944  0.084  0.267  1.0
  O  O9  1  0.317  0.677  0.233  1.0
  O  O10  1  0.929  0.679  0.250  1.0
  O  O11  1  0.683  0.916  0.360  1.0
  O  O12  1  0.695  0.945  0.750  1.0
  O  O13  1  0.944  0.677  0.860  1.0
  O  O14  1  0.683  0.323  0.767  1.0
  O  O15  1  0.056  0.916  0.733  1.0
  O  O16  1  0.337  0.587  0.750  1.0
  O  O17  1  0.056  0.323  0.140  1.0
  O  O18  1  0.071  0.321  0.750  1.0
  O  O19  1  0.663  0.413  0.250  1.0
[/CIF]
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The compound described by UTa2O7 crystallizes in the orthorhombic Imma space group. U(1) is bonded to two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms to form distorted UO8 hexagonal bipyramids that share edges with two equivalent U(1)O8 hexagonal bipyramids, edges with two equivalent Ta(1)O6 octahedra, and edges with four equivalent Ta(2)O6 octahedra. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with four equivalent Ta(2)O6 octahedra, and edges with two equivalent U(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 35-44°. In the second Ta site, Ta(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with two equivalent Ta(2)O6 octahedra, corners with four equivalent Ta(1)O6 octahedra, and edges with four equivalent U(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 44°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one U(1), one Ta(1), and one Ta(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent U(1) and two equivalent Ta(2) atoms. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent U(1) atoms. is represented by the CIF card [CIF]
data_UTa2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.445
_cell_length_b   7.445
_cell_length_c   7.445
_cell_angle_alpha   120.644
_cell_angle_beta   119.624
_cell_angle_gamma   89.771
_symmetry_Int_Tables_number   1
_cell_volume   291.233
_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
  U  U0  1  0.500  0.500  0.000  1.0
  U  U1  1  0.000  0.500  0.500  1.0
  Ta  Ta2  1  0.500  0.000  0.500  1.0
  Ta  Ta3  1  0.000  0.000  0.000  1.0
  Ta  Ta4  1  0.000  0.000  0.500  1.0
  Ta  Ta5  1  0.000  0.500  0.000  1.0
  O  O6  1  0.305  0.055  0.250  1.0
  O  O7  1  0.317  0.084  0.640  1.0
  O  O8  1  0.944  0.084  0.267  1.0
  O  O9  1  0.317  0.677  0.233  1.0
  O  O10  1  0.929  0.679  0.250  1.0
  O  O11  1  0.683  0.916  0.360  1.0
  O  O12  1  0.695  0.945  0.750  1.0
  O  O13  1  0.944  0.677  0.860  1.0
  O  O14  1  0.683  0.323  0.767  1.0
  O  O15  1  0.056  0.916  0.733  1.0
  O  O16  1  0.337  0.587  0.750  1.0
  O  O17  1  0.056  0.323  0.140  1.0
  O  O18  1  0.071  0.321  0.750  1.0
  O  O19  1  0.663  0.413  0.250  1.0
[/CIF]
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