The structure described by Cr2HO4 crystallizes in the monoclinic P2/m space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing CrO6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form edge-sharing CrO6 octahedra. H(1) is bonded in a linear geometry to two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Cr(1) and two equivalent Cr(2) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Cr(2), two equivalent Cr(1), and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr2HO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.022
_cell_length_b   4.812
_cell_length_c   5.230
_cell_angle_alpha   68.972
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   70.992
_cell_formula_units_Z   1
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  0.000  0.000  1.0
  Cr  Cr1  1  0.500  0.000  0.500  1.0
  H  H2  1  0.500  0.500  0.000  1.0
  O  O3  1  0.000  0.198  0.605  1.0
  O  O4  1  0.500  0.770  0.912  1.0
  O  O5  1  0.500  0.230  0.088  1.0
  O  O6  1  0.000  0.802  0.395  1.0
[/CIF]
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The structure described by Cr2HO4 crystallizes in the monoclinic P2/m space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing CrO6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form edge-sharing CrO6 octahedra. H(1) is bonded in a linear geometry to two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Cr(1) and two equivalent Cr(2) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Cr(2), two equivalent Cr(1), and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr2HO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.022
_cell_length_b   4.812
_cell_length_c   5.230
_cell_angle_alpha   68.972
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   70.992
_cell_formula_units_Z   1
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  0.000  0.000  1.0
  Cr  Cr1  1  0.500  0.000  0.500  1.0
  H  H2  1  0.500  0.500  0.000  1.0
  O  O3  1  0.000  0.198  0.605  1.0
  O  O4  1  0.500  0.770  0.912  1.0
  O  O5  1  0.500  0.230  0.088  1.0
  O  O6  1  0.000  0.802  0.395  1.0
[/CIF]
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