The crystal structure described by Ta2O5 crystallizes in the orthorhombic Pmmn space group. Ta(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 3-31°. There are three inequivalent O sites. In the first O site, O(2) is bonded in a linear geometry to two equivalent Ta(1) atoms. In the second O site, O(3) is bonded in a linear geometry to two equivalent Ta(1) atoms. In the third O site, O(1) is bonded in a 3-coordinate geometry to three equivalent Ta(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.815
_cell_length_b   3.893
_cell_length_c   12.968
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   192.589
_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  0.019  0.957  0.146  1.0
  Ta  Ta1  1  0.519  0.043  0.354  1.0
  Ta  Ta2  1  0.519  0.043  0.646  1.0
  Ta  Ta3  1  0.019  0.957  0.854  1.0
  O  O4  1  0.519  0.997  0.185  1.0
  O  O5  1  0.019  0.003  0.315  1.0
  O  O6  1  0.019  0.003  0.685  1.0
  O  O7  1  0.519  0.997  0.815  1.0
  O  O8  1  0.019  0.487  0.851  1.0
  O  O9  1  0.519  0.513  0.649  1.0
  O  O10  1  0.519  0.513  0.351  1.0
  O  O11  1  0.519  0.008  0.500  1.0
  O  O12  1  0.019  0.992  0.000  1.0
  O  O13  1  0.019  0.487  0.149  1.0
[/CIF]
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The crystal structure described by Ta2O5 crystallizes in the orthorhombic Pmmn space group. Ta(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 3-31°. There are three inequivalent O sites. In the first O site, O(2) is bonded in a linear geometry to two equivalent Ta(1) atoms. In the second O site, O(3) is bonded in a linear geometry to two equivalent Ta(1) atoms. In the third O site, O(1) is bonded in a 3-coordinate geometry to three equivalent Ta(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.815
_cell_length_b   3.893
_cell_length_c   12.968
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   192.589
_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  0.019  0.957  0.146  1.0
  Ta  Ta1  1  0.519  0.043  0.354  1.0
  Ta  Ta2  1  0.519  0.043  0.646  1.0
  Ta  Ta3  1  0.019  0.957  0.854  1.0
  O  O4  1  0.519  0.997  0.185  1.0
  O  O5  1  0.019  0.003  0.315  1.0
  O  O6  1  0.019  0.003  0.685  1.0
  O  O7  1  0.519  0.997  0.815  1.0
  O  O8  1  0.019  0.487  0.851  1.0
  O  O9  1  0.519  0.513  0.649  1.0
  O  O10  1  0.519  0.513  0.351  1.0
  O  O11  1  0.519  0.008  0.500  1.0
  O  O12  1  0.019  0.992  0.000  1.0
  O  O13  1  0.019  0.487  0.149  1.0
[/CIF]
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