The compound described by Cr3O8 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form corner-sharing CrO6 octahedra. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form corner-sharing CrO4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-45°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Cr(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.492
_cell_length_b   6.610
_cell_length_c   8.244
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   299.280
_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
  Cr  Cr0  1  0.000  0.500  0.000  1.0
  Cr  Cr1  1  0.000  0.216  0.343  1.0
  Cr  Cr2  1  0.000  0.784  0.657  1.0
  Cr  Cr3  1  0.500  0.284  0.843  1.0
  Cr  Cr4  1  0.500  0.716  0.157  1.0
  Cr  Cr5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.000  0.974  0.774  1.0
  O  O7  1  0.000  0.431  0.233  1.0
  O  O8  1  0.000  0.569  0.767  1.0
  O  O9  1  0.000  0.026  0.226  1.0
  O  O10  1  0.753  0.299  0.964  1.0
  O  O11  1  0.753  0.701  0.036  1.0
  O  O12  1  0.747  0.799  0.536  1.0
  O  O13  1  0.747  0.201  0.464  1.0
  O  O14  1  0.500  0.069  0.733  1.0
  O  O15  1  0.500  0.474  0.726  1.0
  O  O16  1  0.500  0.931  0.267  1.0
  O  O17  1  0.500  0.526  0.274  1.0
  O  O18  1  0.253  0.799  0.536  1.0
  O  O19  1  0.253  0.201  0.464  1.0
  O  O20  1  0.247  0.299  0.964  1.0
  O  O21  1  0.247  0.701  0.036  1.0
[/CIF]
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The compound described by Cr3O8 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form corner-sharing CrO6 octahedra. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form corner-sharing CrO4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-45°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Cr(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.492
_cell_length_b   6.610
_cell_length_c   8.244
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   299.280
_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
  Cr  Cr0  1  0.000  0.500  0.000  1.0
  Cr  Cr1  1  0.000  0.216  0.343  1.0
  Cr  Cr2  1  0.000  0.784  0.657  1.0
  Cr  Cr3  1  0.500  0.284  0.843  1.0
  Cr  Cr4  1  0.500  0.716  0.157  1.0
  Cr  Cr5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.000  0.974  0.774  1.0
  O  O7  1  0.000  0.431  0.233  1.0
  O  O8  1  0.000  0.569  0.767  1.0
  O  O9  1  0.000  0.026  0.226  1.0
  O  O10  1  0.753  0.299  0.964  1.0
  O  O11  1  0.753  0.701  0.036  1.0
  O  O12  1  0.747  0.799  0.536  1.0
  O  O13  1  0.747  0.201  0.464  1.0
  O  O14  1  0.500  0.069  0.733  1.0
  O  O15  1  0.500  0.474  0.726  1.0
  O  O16  1  0.500  0.931  0.267  1.0
  O  O17  1  0.500  0.526  0.274  1.0
  O  O18  1  0.253  0.799  0.536  1.0
  O  O19  1  0.253  0.201  0.464  1.0
  O  O20  1  0.247  0.299  0.964  1.0
  O  O21  1  0.247  0.701  0.036  1.0
[/CIF]
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