The material structure described by P2O5 crystallizes in the triclinic P1 space group. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(6), and one O(7) atom to form distorted corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(2), one O(6), one O(8), and one O(9) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(3), one O(5), one O(8), and one O(9) atom to form corner-sharing PO4 tetrahedra. In the fourth P site, P(4) is bonded to one O(10), one O(4), one O(5), and one O(7) atom to form corner-sharing PO4 tetrahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one P(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one P(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one P(3) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one P(4) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(3) and one P(4) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one P(2) and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one P(1) and one P(4) atom. is represented by the CIF card [CIF]
data_P2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.245
_cell_length_b   8.746
_cell_length_c   4.937
_cell_angle_alpha   79.728
_cell_angle_beta   68.571
_cell_angle_gamma   31.701
_symmetry_Int_Tables_number   1
_cell_volume   187.953
_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
  P  P0  1  0.942  0.407  0.407  1.0
  P  P1  1  0.262  0.387  0.400  1.0
  P  P2  1  0.864  0.985  0.295  1.0
  P  P3  1  0.854  0.302  0.985  1.0
  O  O4  1  0.662  0.723  0.516  1.0
  O  O5  1  0.116  0.505  0.726  1.0
  O  O6  1  0.743  0.146  0.591  1.0
  O  O7  1  0.529  0.590  0.133  1.0
  O  O8  1  0.982  0.014  0.012  1.0
  O  O9  1  0.242  0.254  0.252  1.0
  O  O10  1  0.021  0.206  0.647  1.0
  O  O11  1  0.138  0.635  0.202  1.0
  O  O12  1  0.610  0.116  0.229  1.0
  O  O13  1  0.032  0.234  0.132  1.0
[/CIF]
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The material structure described by P2O5 crystallizes in the triclinic P1 space group. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(6), and one O(7) atom to form distorted corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(2), one O(6), one O(8), and one O(9) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(3), one O(5), one O(8), and one O(9) atom to form corner-sharing PO4 tetrahedra. In the fourth P site, P(4) is bonded to one O(10), one O(4), one O(5), and one O(7) atom to form corner-sharing PO4 tetrahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one P(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one P(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one P(3) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one P(4) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(3) and one P(4) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one P(2) and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one P(1) and one P(4) atom. is represented by the CIF card [CIF]
data_P2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.245
_cell_length_b   8.746
_cell_length_c   4.937
_cell_angle_alpha   79.728
_cell_angle_beta   68.571
_cell_angle_gamma   31.701
_symmetry_Int_Tables_number   1
_cell_volume   187.953
_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
  P  P0  1  0.942  0.407  0.407  1.0
  P  P1  1  0.262  0.387  0.400  1.0
  P  P2  1  0.864  0.985  0.295  1.0
  P  P3  1  0.854  0.302  0.985  1.0
  O  O4  1  0.662  0.723  0.516  1.0
  O  O5  1  0.116  0.505  0.726  1.0
  O  O6  1  0.743  0.146  0.591  1.0
  O  O7  1  0.529  0.590  0.133  1.0
  O  O8  1  0.982  0.014  0.012  1.0
  O  O9  1  0.242  0.254  0.252  1.0
  O  O10  1  0.021  0.206  0.647  1.0
  O  O11  1  0.138  0.635  0.202  1.0
  O  O12  1  0.610  0.116  0.229  1.0
  O  O13  1  0.032  0.234  0.132  1.0
[/CIF]
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