The material described by As2O5 crystallizes in the tetragonal P4_12_12 space group. There are two inequivalent As sites. In the first As site, As(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form AsO6 octahedra that share corners with two equivalent As(1)O6 octahedra and corners with four equivalent As(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. In the second As site, As(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing AsO4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-57°. There are three 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 distorted bent 120 degrees geometry to one As(1) and one As(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent As(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_As2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.634
_cell_length_b   8.619
_cell_length_c   8.619
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   344.201
_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  0.500  0.598  0.598  1.0
  As  As1  1  0.500  0.216  0.216  1.0
  As  As2  1  0.000  0.784  0.784  1.0
  As  As3  1  0.750  0.284  0.716  1.0
  As  As4  1  0.250  0.098  0.902  1.0
  As  As5  1  0.000  0.402  0.402  1.0
  As  As6  1  0.250  0.716  0.284  1.0
  As  As7  1  0.750  0.902  0.098  1.0
  O  O8  1  0.074  0.976  0.755  1.0
  O  O9  1  0.574  0.024  0.245  1.0
  O  O10  1  0.230  0.236  0.345  1.0
  O  O11  1  0.750  0.556  0.444  1.0
  O  O12  1  0.500  0.944  0.944  1.0
  O  O13  1  0.270  0.655  0.764  1.0
  O  O14  1  0.250  0.444  0.556  1.0
  O  O15  1  0.324  0.745  0.476  1.0
  O  O16  1  0.980  0.845  0.264  1.0
  O  O17  1  0.480  0.155  0.736  1.0
  O  O18  1  0.676  0.476  0.745  1.0
  O  O19  1  0.000  0.056  0.056  1.0
  O  O20  1  0.770  0.345  0.236  1.0
  O  O21  1  0.020  0.264  0.845  1.0
  O  O22  1  0.426  0.245  0.024  1.0
  O  O23  1  0.730  0.764  0.655  1.0
  O  O24  1  0.520  0.736  0.155  1.0
  O  O25  1  0.824  0.255  0.524  1.0
  O  O26  1  0.176  0.524  0.255  1.0
  O  O27  1  0.926  0.755  0.976  1.0
[/CIF]
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The material described by As2O5 crystallizes in the tetragonal P4_12_12 space group. There are two inequivalent As sites. In the first As site, As(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form AsO6 octahedra that share corners with two equivalent As(1)O6 octahedra and corners with four equivalent As(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. In the second As site, As(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing AsO4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-57°. There are three 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 distorted bent 120 degrees geometry to one As(1) and one As(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent As(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_As2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.634
_cell_length_b   8.619
_cell_length_c   8.619
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   344.201
_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  0.500  0.598  0.598  1.0
  As  As1  1  0.500  0.216  0.216  1.0
  As  As2  1  0.000  0.784  0.784  1.0
  As  As3  1  0.750  0.284  0.716  1.0
  As  As4  1  0.250  0.098  0.902  1.0
  As  As5  1  0.000  0.402  0.402  1.0
  As  As6  1  0.250  0.716  0.284  1.0
  As  As7  1  0.750  0.902  0.098  1.0
  O  O8  1  0.074  0.976  0.755  1.0
  O  O9  1  0.574  0.024  0.245  1.0
  O  O10  1  0.230  0.236  0.345  1.0
  O  O11  1  0.750  0.556  0.444  1.0
  O  O12  1  0.500  0.944  0.944  1.0
  O  O13  1  0.270  0.655  0.764  1.0
  O  O14  1  0.250  0.444  0.556  1.0
  O  O15  1  0.324  0.745  0.476  1.0
  O  O16  1  0.980  0.845  0.264  1.0
  O  O17  1  0.480  0.155  0.736  1.0
  O  O18  1  0.676  0.476  0.745  1.0
  O  O19  1  0.000  0.056  0.056  1.0
  O  O20  1  0.770  0.345  0.236  1.0
  O  O21  1  0.020  0.264  0.845  1.0
  O  O22  1  0.426  0.245  0.024  1.0
  O  O23  1  0.730  0.764  0.655  1.0
  O  O24  1  0.520  0.736  0.155  1.0
  O  O25  1  0.824  0.255  0.524  1.0
  O  O26  1  0.176  0.524  0.255  1.0
  O  O27  1  0.926  0.755  0.976  1.0
[/CIF]
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