The compound described by KCrH4(C2O5)2 crystallizes in the monoclinic C2/m space group. K(1) is bonded to eight equivalent O(3) atoms to form distorted edge-sharing KO8 hexagonal bipyramids. Cr(1) is bonded in an octahedral geometry to two equivalent O(1) and four equivalent O(2) atoms. C(1) is bonded in a bent 120 degrees geometry to one O(2) and one O(3) atom. H(1) is bonded in a distorted single-bond geometry to one O(1) and one O(2) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cr(1) and two equivalent H(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cr(1), one C(1), and one H(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent K(1) and one C(1) atom. is represented by the CIF card [CIF]
data_KCrH4(C2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.965
_cell_length_b   4.965
_cell_length_c   10.097
_cell_angle_alpha   90.920
_cell_angle_beta   90.921
_cell_angle_gamma   93.759
_symmetry_Int_Tables_number   1
_cell_volume   248.294
_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
  C  C0  1  0.478  0.263  0.753  1.0
  C  C1  1  0.263  0.478  0.753  1.0
  C  C2  1  0.522  0.737  0.247  1.0
  C  C3  1  0.737  0.522  0.247  1.0
  Cr  Cr4  1  0.500  0.500  0.500  1.0
  H  H5  1  0.732  0.959  0.602  1.0
  H  H6  1  0.959  0.732  0.602  1.0
  H  H7  1  0.268  0.041  0.398  1.0
  H  H8  1  0.041  0.268  0.398  1.0
  K  K9  1  0.000  0.000  1.000  1.0
  O  O10  1  0.786  0.786  0.561  1.0
  O  O11  1  0.214  0.214  0.439  1.0
  O  O12  1  0.613  0.252  0.642  1.0
  O  O13  1  0.252  0.613  0.642  1.0
  O  O14  1  0.387  0.748  0.358  1.0
  O  O15  1  0.748  0.387  0.358  1.0
  O  O16  1  0.509  0.118  0.849  1.0
  O  O17  1  0.118  0.509  0.849  1.0
  O  O18  1  0.491  0.882  0.151  1.0
  O  O19  1  0.882  0.491  0.151  1.0
[/CIF]
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The compound described by KCrH4(C2O5)2 crystallizes in the monoclinic C2/m space group. K(1) is bonded to eight equivalent O(3) atoms to form distorted edge-sharing KO8 hexagonal bipyramids. Cr(1) is bonded in an octahedral geometry to two equivalent O(1) and four equivalent O(2) atoms. C(1) is bonded in a bent 120 degrees geometry to one O(2) and one O(3) atom. H(1) is bonded in a distorted single-bond geometry to one O(1) and one O(2) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cr(1) and two equivalent H(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cr(1), one C(1), and one H(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent K(1) and one C(1) atom. is represented by the CIF card [CIF]
data_KCrH4(C2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.965
_cell_length_b   4.965
_cell_length_c   10.097
_cell_angle_alpha   90.920
_cell_angle_beta   90.921
_cell_angle_gamma   93.759
_symmetry_Int_Tables_number   1
_cell_volume   248.294
_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
  C  C0  1  0.478  0.263  0.753  1.0
  C  C1  1  0.263  0.478  0.753  1.0
  C  C2  1  0.522  0.737  0.247  1.0
  C  C3  1  0.737  0.522  0.247  1.0
  Cr  Cr4  1  0.500  0.500  0.500  1.0
  H  H5  1  0.732  0.959  0.602  1.0
  H  H6  1  0.959  0.732  0.602  1.0
  H  H7  1  0.268  0.041  0.398  1.0
  H  H8  1  0.041  0.268  0.398  1.0
  K  K9  1  0.000  0.000  1.000  1.0
  O  O10  1  0.786  0.786  0.561  1.0
  O  O11  1  0.214  0.214  0.439  1.0
  O  O12  1  0.613  0.252  0.642  1.0
  O  O13  1  0.252  0.613  0.642  1.0
  O  O14  1  0.387  0.748  0.358  1.0
  O  O15  1  0.748  0.387  0.358  1.0
  O  O16  1  0.509  0.118  0.849  1.0
  O  O17  1  0.118  0.509  0.849  1.0
  O  O18  1  0.491  0.882  0.151  1.0
  O  O19  1  0.882  0.491  0.151  1.0
[/CIF]
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