The structure described by TaOPO4 crystallizes in the orthorhombic Fdd2 space group. Ta(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-54°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ta(1) and one P(1) atom. In the second O site, O(3) is bonded in a bent 120 degrees geometry to one Ta(1) and one P(1) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ta(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Ta(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.395
_cell_length_b   9.109
_cell_length_c   7.124
_cell_angle_alpha   78.599
_cell_angle_beta   59.199
_cell_angle_gamma   42.203
_symmetry_Int_Tables_number   1
_cell_volume   369.424
_cell_formula_units_Z   4
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  0.875  0.380  0.383  1.0
  Ta  Ta1  1  0.362  0.383  0.380  1.0
  Ta  Ta2  1  0.870  0.375  0.888  1.0
  Ta  Ta3  1  0.867  0.888  0.375  1.0
  P  P4  1  0.029  0.542  0.969  1.0
  P  P5  1  0.708  0.221  0.790  1.0
  P  P6  1  0.460  0.969  0.542  1.0
  P  P7  1  0.281  0.790  0.221  1.0
  O  O8  1  0.601  0.722  0.442  1.0
  O  O9  1  0.660  0.177  0.332  1.0
  O  O10  1  0.309  0.648  0.392  1.0
  O  O11  1  0.808  0.015  0.649  1.0
  O  O12  1  0.216  0.104  0.750  1.0
  O  O13  1  0.424  0.113  0.371  1.0
  O  O14  1  0.073  0.590  0.419  1.0
  O  O15  1  0.831  0.332  0.177  1.0
  O  O16  1  0.918  0.419  0.590  1.0
  O  O17  1  0.146  0.034  0.320  1.0
  O  O18  1  0.235  0.442  0.722  1.0
  O  O19  1  0.500  0.320  0.034  1.0
  O  O20  1  0.930  0.750  0.104  1.0
  O  O21  1  0.137  0.826  0.158  1.0
  O  O22  1  0.092  0.371  0.113  1.0
  O  O23  1  0.879  0.158  0.826  1.0
  O  O24  1  0.858  0.599  0.941  1.0
  O  O25  1  0.651  0.392  0.648  1.0
  O  O26  1  0.528  0.649  0.015  1.0
  O  O27  1  0.602  0.941  0.599  1.0
[/CIF]
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The structure described by TaOPO4 crystallizes in the orthorhombic Fdd2 space group. Ta(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-54°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ta(1) and one P(1) atom. In the second O site, O(3) is bonded in a bent 120 degrees geometry to one Ta(1) and one P(1) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ta(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Ta(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.395
_cell_length_b   9.109
_cell_length_c   7.124
_cell_angle_alpha   78.599
_cell_angle_beta   59.199
_cell_angle_gamma   42.203
_symmetry_Int_Tables_number   1
_cell_volume   369.424
_cell_formula_units_Z   4
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  0.875  0.380  0.383  1.0
  Ta  Ta1  1  0.362  0.383  0.380  1.0
  Ta  Ta2  1  0.870  0.375  0.888  1.0
  Ta  Ta3  1  0.867  0.888  0.375  1.0
  P  P4  1  0.029  0.542  0.969  1.0
  P  P5  1  0.708  0.221  0.790  1.0
  P  P6  1  0.460  0.969  0.542  1.0
  P  P7  1  0.281  0.790  0.221  1.0
  O  O8  1  0.601  0.722  0.442  1.0
  O  O9  1  0.660  0.177  0.332  1.0
  O  O10  1  0.309  0.648  0.392  1.0
  O  O11  1  0.808  0.015  0.649  1.0
  O  O12  1  0.216  0.104  0.750  1.0
  O  O13  1  0.424  0.113  0.371  1.0
  O  O14  1  0.073  0.590  0.419  1.0
  O  O15  1  0.831  0.332  0.177  1.0
  O  O16  1  0.918  0.419  0.590  1.0
  O  O17  1  0.146  0.034  0.320  1.0
  O  O18  1  0.235  0.442  0.722  1.0
  O  O19  1  0.500  0.320  0.034  1.0
  O  O20  1  0.930  0.750  0.104  1.0
  O  O21  1  0.137  0.826  0.158  1.0
  O  O22  1  0.092  0.371  0.113  1.0
  O  O23  1  0.879  0.158  0.826  1.0
  O  O24  1  0.858  0.599  0.941  1.0
  O  O25  1  0.651  0.392  0.648  1.0
  O  O26  1  0.528  0.649  0.015  1.0
  O  O27  1  0.602  0.941  0.599  1.0
[/CIF]
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