The material described by As2O5 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form corner-sharing AsO4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-58°. In the second As site, As(2) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form AsO6 octahedra that share corners with two equivalent As(2)O6 octahedra and corners with four equivalent As(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one As(1) and one As(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one As(1) and one As(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent As(2) atoms. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one As(1) and one As(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one As(1) and one As(2) atom. is represented by the CIF card [CIF]
data_As2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.640
_cell_length_b   8.541
_cell_length_c   8.675
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   343.772
_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
  As  As0  1  0.882  0.033  0.716  1.0
  As  As1  1  0.382  0.467  0.284  1.0
  As  As2  1  0.118  0.533  0.784  1.0
  As  As3  1  0.618  0.967  0.216  1.0
  As  As4  1  0.877  0.653  0.098  1.0
  As  As5  1  0.377  0.847  0.902  1.0
  As  As6  1  0.123  0.153  0.402  1.0
  As  As7  1  0.623  0.347  0.598  1.0
  O  O8  1  0.052  0.505  0.976  1.0
  O  O9  1  0.552  0.995  0.024  1.0
  O  O10  1  0.948  0.005  0.524  1.0
  O  O11  1  0.448  0.495  0.476  1.0
  O  O12  1  0.205  0.725  0.753  1.0
  O  O13  1  0.705  0.775  0.247  1.0
  O  O14  1  0.795  0.225  0.747  1.0
  O  O15  1  0.295  0.275  0.253  1.0
  O  O16  1  0.896  0.314  0.455  1.0
  O  O17  1  0.396  0.186  0.545  1.0
  O  O18  1  0.104  0.814  0.045  1.0
  O  O19  1  0.604  0.686  0.955  1.0
  O  O20  1  0.129  0.606  0.258  1.0
  O  O21  1  0.629  0.894  0.742  1.0
  O  O22  1  0.871  0.106  0.242  1.0
  O  O23  1  0.371  0.394  0.758  1.0
  O  O24  1  0.668  0.481  0.166  1.0
  O  O25  1  0.168  0.019  0.834  1.0
  O  O26  1  0.332  0.981  0.334  1.0
  O  O27  1  0.832  0.519  0.666  1.0
[/CIF]
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The material described by As2O5 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form corner-sharing AsO4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-58°. In the second As site, As(2) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form AsO6 octahedra that share corners with two equivalent As(2)O6 octahedra and corners with four equivalent As(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one As(1) and one As(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one As(1) and one As(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent As(2) atoms. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one As(1) and one As(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one As(1) and one As(2) atom. is represented by the CIF card [CIF]
data_As2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.640
_cell_length_b   8.541
_cell_length_c   8.675
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   343.772
_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
  As  As0  1  0.882  0.033  0.716  1.0
  As  As1  1  0.382  0.467  0.284  1.0
  As  As2  1  0.118  0.533  0.784  1.0
  As  As3  1  0.618  0.967  0.216  1.0
  As  As4  1  0.877  0.653  0.098  1.0
  As  As5  1  0.377  0.847  0.902  1.0
  As  As6  1  0.123  0.153  0.402  1.0
  As  As7  1  0.623  0.347  0.598  1.0
  O  O8  1  0.052  0.505  0.976  1.0
  O  O9  1  0.552  0.995  0.024  1.0
  O  O10  1  0.948  0.005  0.524  1.0
  O  O11  1  0.448  0.495  0.476  1.0
  O  O12  1  0.205  0.725  0.753  1.0
  O  O13  1  0.705  0.775  0.247  1.0
  O  O14  1  0.795  0.225  0.747  1.0
  O  O15  1  0.295  0.275  0.253  1.0
  O  O16  1  0.896  0.314  0.455  1.0
  O  O17  1  0.396  0.186  0.545  1.0
  O  O18  1  0.104  0.814  0.045  1.0
  O  O19  1  0.604  0.686  0.955  1.0
  O  O20  1  0.129  0.606  0.258  1.0
  O  O21  1  0.629  0.894  0.742  1.0
  O  O22  1  0.871  0.106  0.242  1.0
  O  O23  1  0.371  0.394  0.758  1.0
  O  O24  1  0.668  0.481  0.166  1.0
  O  O25  1  0.168  0.019  0.834  1.0
  O  O26  1  0.332  0.981  0.334  1.0
  O  O27  1  0.832  0.519  0.666  1.0
[/CIF]
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