data_TaPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   3.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaPO5
_chemical_formula_sum   'Ta2 P2 O10'
_cell_volume   164.36
_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
  Ta  Ta12  1  0.22  0.0  0.91  1.0
  Ta  Ta13  1  0.0  0.22  0.05  1.0
  P  P10  1  0.0  0.0  0.0  1.0
  P  P11  1  0.22  0.22  0.0  1.0
  O  O0  1  0.0  0.22  0.89  1.0
  O  O1  1  0.19  0.15  0.09  1.0
  O  O2  1  0.07  0.97  0.09  1.0
  O  O3  1  0.36  0.47  0.09  1.0
  O  O4  1  0.25  0.29  0.09  1.0
  O  O5  1  0.15  0.25  0.88  1.0
  O  O6  1  0.47  0.07  0.88  1.0
  O  O7  1  0.97  0.36  0.88  1.0
  O  O8  1  0.29  0.19  0.88  1.0
  O  O9  1  0.22  0.0  0.08  1.0

data_TaPO5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   6.44
_cell_length_c   6.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaPO5
_chemical_formula_sum   'Ta2 P2 O10'
_cell_volume   164.36
_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
  Ta  Ta0  1  0.05  0.0  0.22  1.0
  Ta  Ta1  1  0.91  0.22  0.0  1.0
  P  P2  1  -0.0  0.22  0.22  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  O  O4  1  0.08  0.22  0.0  1.0
  O  O5  1  0.09  0.07  0.97  1.0
  O  O6  1  0.09  0.19  0.15  1.0
  O  O7  1  0.09  0.25  0.29  1.0
  O  O8  1  0.09  0.36  0.47  1.0
  O  O9  1  0.88  0.15  0.25  1.0
  O  O10  1  0.88  0.29  0.19  1.0
  O  O11  1  0.88  0.47  0.07  1.0
  O  O12  1  0.88  0.97  0.36  1.0
  O  O13  1  0.89  0.0  0.22  1.0

Ta Ta P P O O O O O O O O O O
TaOPO4 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one hydrogen peroxide;tantalum molecule, one phosphine oxide molecule, and one TaPO7 cluster. In the TaPO7 cluster, Ta(1) is bonded in a single-bond geometry to one O(10) and one O(7) atom. The Ta(1)-O(10) bond length is 0.65 Å. The Ta(1)-O(7) bond length is 1.66 Å. P(2) is bonded in a tetrahedral geometry to one O(2), one O(5), one O(6), and one O(9) atom. The P(2)-O(2) bond length is 0.61 Å. The P(2)-O(5) bond length is 0.61 Å. The P(2)-O(6) bond length is 0.70 Å. The P(2)-O(9) bond length is 0.70 Å. There are seven inequivalent O sites. In the first O site, O(2) is bonded in a single-bond geometry to one P(2) atom. In the second O site, O(4) is bonded in a single-bond geometry to one O(5) atom. The O(4)-O(5) bond length is 1.35 Å. In the third O site, O(5) is bonded in a single-bond geometry to one P(2) and one O(4) atom. In the fourth O site, O(6) is bonded in a single-bond geometry to one P(2) atom. In the fifth O site, O(7) is bonded in a 2-coordinate geometry to one Ta(1) and one O(9) atom. The O(7)-O(9) bond length is 1.35 Å. In the sixth O site, O(9) is bonded in a single-bond geometry to one P(2) and one O(7) atom. In the seventh O site, O(10) is bonded in a single-bond geometry to one Ta(1) atom.