The compound described by Cr2O5 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form corner-sharing CrO4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-52°. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra and corners with four equivalent Cr(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 40°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cr(1) and one Cr(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent Cr(2) atoms. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cr(1) and one Cr(2) atom. is represented by the CIF file [CIF]
data_Cr2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.285
_cell_length_b   9.047
_cell_length_c   4.988
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   419.010
_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
  Cr  Cr0  1  0.032  0.719  0.865  1.0
  Cr  Cr1  1  0.157  0.410  0.133  1.0
  Cr  Cr2  1  0.343  0.590  0.633  1.0
  Cr  Cr3  1  0.468  0.281  0.365  1.0
  Cr  Cr4  1  0.532  0.781  0.135  1.0
  Cr  Cr5  1  0.657  0.090  0.867  1.0
  Cr  Cr6  1  0.843  0.910  0.367  1.0
  Cr  Cr7  1  0.968  0.219  0.635  1.0
  O  O8  1  0.010  0.545  0.969  1.0
  O  O9  1  0.990  0.841  0.102  1.0
  O  O10  1  0.070  0.247  0.905  1.0
  O  O11  1  0.219  0.557  0.344  1.0
  O  O12  1  0.207  0.736  0.789  1.0
  O  O13  1  0.293  0.264  0.289  1.0
  O  O14  1  0.281  0.443  0.844  1.0
  O  O15  1  0.430  0.753  0.405  1.0
  O  O16  1  0.510  0.159  0.602  1.0
  O  O17  1  0.490  0.455  0.469  1.0
  O  O18  1  0.510  0.955  0.031  1.0
  O  O19  1  0.490  0.659  0.898  1.0
  O  O20  1  0.570  0.253  0.095  1.0
  O  O21  1  0.719  0.943  0.656  1.0
  O  O22  1  0.707  0.764  0.211  1.0
  O  O23  1  0.793  0.236  0.711  1.0
  O  O24  1  0.781  0.057  0.156  1.0
  O  O25  1  0.930  0.747  0.595  1.0
  O  O26  1  0.010  0.341  0.398  1.0
  O  O27  1  0.990  0.045  0.531  1.0
[/CIF]
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The compound described by Cr2O5 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form corner-sharing CrO4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-52°. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra and corners with four equivalent Cr(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 40°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cr(1) and one Cr(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent Cr(2) atoms. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cr(1) and one Cr(2) atom. is represented by the CIF file [CIF]
data_Cr2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.285
_cell_length_b   9.047
_cell_length_c   4.988
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   419.010
_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
  Cr  Cr0  1  0.032  0.719  0.865  1.0
  Cr  Cr1  1  0.157  0.410  0.133  1.0
  Cr  Cr2  1  0.343  0.590  0.633  1.0
  Cr  Cr3  1  0.468  0.281  0.365  1.0
  Cr  Cr4  1  0.532  0.781  0.135  1.0
  Cr  Cr5  1  0.657  0.090  0.867  1.0
  Cr  Cr6  1  0.843  0.910  0.367  1.0
  Cr  Cr7  1  0.968  0.219  0.635  1.0
  O  O8  1  0.010  0.545  0.969  1.0
  O  O9  1  0.990  0.841  0.102  1.0
  O  O10  1  0.070  0.247  0.905  1.0
  O  O11  1  0.219  0.557  0.344  1.0
  O  O12  1  0.207  0.736  0.789  1.0
  O  O13  1  0.293  0.264  0.289  1.0
  O  O14  1  0.281  0.443  0.844  1.0
  O  O15  1  0.430  0.753  0.405  1.0
  O  O16  1  0.510  0.159  0.602  1.0
  O  O17  1  0.490  0.455  0.469  1.0
  O  O18  1  0.510  0.955  0.031  1.0
  O  O19  1  0.490  0.659  0.898  1.0
  O  O20  1  0.570  0.253  0.095  1.0
  O  O21  1  0.719  0.943  0.656  1.0
  O  O22  1  0.707  0.764  0.211  1.0
  O  O23  1  0.793  0.236  0.711  1.0
  O  O24  1  0.781  0.057  0.156  1.0
  O  O25  1  0.930  0.747  0.595  1.0
  O  O26  1  0.010  0.341  0.398  1.0
  O  O27  1  0.990  0.045  0.531  1.0
[/CIF]
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