The material structure described by Li2CrH8O4Cl5 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a trigonal non-coplanar geometry to one Cl(1) and two equivalent Cl(2) atoms. Cr(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent Cl(1) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) and one Cl(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) and one Cl(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(1) and one Cl(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cr(1), one H(1), and one H(4) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1), one H(2), and one H(3) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a water-like geometry to one Li(1) and one Cr(1) atom. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one H(4) atom. In the third Cl site, Cl(3) is bonded in a 4-coordinate geometry to two equivalent H(1) and two equivalent H(3) atoms. is represented by the CIF file [CIF]
data_Li2CrH8Cl5O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.497
_cell_length_b   8.497
_cell_length_c   13.604
_cell_angle_alpha   68.139
_cell_angle_beta   68.139
_cell_angle_gamma   43.981
_symmetry_Int_Tables_number   1
_cell_volume   624.678
_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
  Li  Li0  1  0.396  0.125  0.889  1.0
  Li  Li1  1  0.875  0.604  0.611  1.0
  Li  Li2  1  0.125  0.396  0.389  1.0
  Li  Li3  1  0.604  0.875  0.111  1.0
  Cr  Cr4  1  0.000  0.000  0.000  1.0
  Cr  Cr5  1  0.000  0.000  0.500  1.0
  H  H6  1  0.324  0.660  0.383  1.0
  H  H7  1  0.887  0.360  0.028  1.0
  H  H8  1  0.723  0.201  0.361  1.0
  H  H9  1  0.250  0.562  0.496  1.0
  H  H10  1  0.438  0.750  0.004  1.0
  H  H11  1  0.799  0.277  0.139  1.0
  H  H12  1  0.640  0.113  0.472  1.0
  H  H13  1  0.340  0.676  0.117  1.0
  H  H14  1  0.660  0.324  0.883  1.0
  H  H15  1  0.360  0.887  0.528  1.0
  H  H16  1  0.201  0.723  0.861  1.0
  H  H17  1  0.562  0.250  0.996  1.0
  H  H18  1  0.750  0.438  0.504  1.0
  H  H19  1  0.277  0.799  0.639  1.0
  H  H20  1  0.113  0.640  0.972  1.0
  H  H21  1  0.676  0.340  0.617  1.0
  Cl  Cl22  1  0.868  0.856  0.658  1.0
  Cl  Cl23  1  0.701  0.732  0.958  1.0
  Cl  Cl24  1  0.268  0.299  0.542  1.0
  Cl  Cl25  1  0.508  0.492  0.250  1.0
  Cl  Cl26  1  0.144  0.132  0.842  1.0
  Cl  Cl27  1  0.856  0.868  0.158  1.0
  Cl  Cl28  1  0.492  0.508  0.750  1.0
  Cl  Cl29  1  0.732  0.701  0.458  1.0
  Cl  Cl30  1  0.299  0.268  0.042  1.0
  Cl  Cl31  1  0.132  0.144  0.342  1.0
  O  O32  1  0.256  0.685  0.459  1.0
  O  O33  1  0.780  0.075  0.424  1.0
  O  O34  1  0.925  0.220  0.076  1.0
  O  O35  1  0.315  0.744  0.041  1.0
  O  O36  1  0.685  0.256  0.959  1.0
  O  O37  1  0.075  0.780  0.924  1.0
  O  O38  1  0.220  0.925  0.576  1.0
  O  O39  1  0.744  0.315  0.541  1.0
[/CIF]
.
The material structure described by Li2CrH8O4Cl5 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a trigonal non-coplanar geometry to one Cl(1) and two equivalent Cl(2) atoms. Cr(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent Cl(1) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) and one Cl(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) and one Cl(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(1) and one Cl(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cr(1), one H(1), and one H(4) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1), one H(2), and one H(3) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a water-like geometry to one Li(1) and one Cr(1) atom. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one H(4) atom. In the third Cl site, Cl(3) is bonded in a 4-coordinate geometry to two equivalent H(1) and two equivalent H(3) atoms. is represented by the CIF file [CIF]
data_Li2CrH8Cl5O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.497
_cell_length_b   8.497
_cell_length_c   13.604
_cell_angle_alpha   68.139
_cell_angle_beta   68.139
_cell_angle_gamma   43.981
_symmetry_Int_Tables_number   1
_cell_volume   624.678
_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
  Li  Li0  1  0.396  0.125  0.889  1.0
  Li  Li1  1  0.875  0.604  0.611  1.0
  Li  Li2  1  0.125  0.396  0.389  1.0
  Li  Li3  1  0.604  0.875  0.111  1.0
  Cr  Cr4  1  0.000  0.000  0.000  1.0
  Cr  Cr5  1  0.000  0.000  0.500  1.0
  H  H6  1  0.324  0.660  0.383  1.0
  H  H7  1  0.887  0.360  0.028  1.0
  H  H8  1  0.723  0.201  0.361  1.0
  H  H9  1  0.250  0.562  0.496  1.0
  H  H10  1  0.438  0.750  0.004  1.0
  H  H11  1  0.799  0.277  0.139  1.0
  H  H12  1  0.640  0.113  0.472  1.0
  H  H13  1  0.340  0.676  0.117  1.0
  H  H14  1  0.660  0.324  0.883  1.0
  H  H15  1  0.360  0.887  0.528  1.0
  H  H16  1  0.201  0.723  0.861  1.0
  H  H17  1  0.562  0.250  0.996  1.0
  H  H18  1  0.750  0.438  0.504  1.0
  H  H19  1  0.277  0.799  0.639  1.0
  H  H20  1  0.113  0.640  0.972  1.0
  H  H21  1  0.676  0.340  0.617  1.0
  Cl  Cl22  1  0.868  0.856  0.658  1.0
  Cl  Cl23  1  0.701  0.732  0.958  1.0
  Cl  Cl24  1  0.268  0.299  0.542  1.0
  Cl  Cl25  1  0.508  0.492  0.250  1.0
  Cl  Cl26  1  0.144  0.132  0.842  1.0
  Cl  Cl27  1  0.856  0.868  0.158  1.0
  Cl  Cl28  1  0.492  0.508  0.750  1.0
  Cl  Cl29  1  0.732  0.701  0.458  1.0
  Cl  Cl30  1  0.299  0.268  0.042  1.0
  Cl  Cl31  1  0.132  0.144  0.342  1.0
  O  O32  1  0.256  0.685  0.459  1.0
  O  O33  1  0.780  0.075  0.424  1.0
  O  O34  1  0.925  0.220  0.076  1.0
  O  O35  1  0.315  0.744  0.041  1.0
  O  O36  1  0.685  0.256  0.959  1.0
  O  O37  1  0.075  0.780  0.924  1.0
  O  O38  1  0.220  0.925  0.576  1.0
  O  O39  1  0.744  0.315  0.541  1.0
[/CIF]
.