The compound described by LiCrPH2O5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 3-coordinate geometry to one O(4) and two equivalent O(5) atoms. Cr(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(4) and one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Cr(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one P(1), and one H(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Li(1), one H(1), and one H(2) atom. is represented by the CIF file [CIF]
data_LiCrPH2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.293
_cell_length_b   6.057
_cell_length_c   9.867
_cell_angle_alpha   85.795
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   434.722
_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
  Li  Li0  1  0.440  0.421  0.351  1.0
  Li  Li1  1  0.060  0.921  0.351  1.0
  Li  Li2  1  0.940  0.079  0.649  1.0
  Li  Li3  1  0.560  0.579  0.649  1.0
  Cr  Cr4  1  0.194  0.208  0.013  1.0
  Cr  Cr5  1  0.306  0.708  0.013  1.0
  Cr  Cr6  1  0.694  0.292  0.987  1.0
  Cr  Cr7  1  0.806  0.792  0.987  1.0
  P  P8  1  0.528  0.004  0.202  1.0
  P  P9  1  0.972  0.504  0.202  1.0
  P  P10  1  0.028  0.496  0.798  1.0
  P  P11  1  0.472  0.996  0.798  1.0
  H  H12  1  0.733  0.144  0.416  1.0
  H  H13  1  0.896  0.310  0.442  1.0
  H  H14  1  0.767  0.644  0.416  1.0
  H  H15  1  0.604  0.810  0.442  1.0
  H  H16  1  0.396  0.190  0.558  1.0
  H  H17  1  0.233  0.356  0.584  1.0
  H  H18  1  0.104  0.690  0.558  1.0
  H  H19  1  0.267  0.856  0.584  1.0
  O  O20  1  0.455  0.192  0.092  1.0
  O  O21  1  0.045  0.692  0.092  1.0
  O  O22  1  0.774  0.454  0.153  1.0
  O  O23  1  0.726  0.954  0.153  1.0
  O  O24  1  0.103  0.302  0.198  1.0
  O  O25  1  0.397  0.802  0.198  1.0
  O  O26  1  0.529  0.096  0.342  1.0
  O  O27  1  0.971  0.596  0.342  1.0
  O  O28  1  0.856  0.155  0.460  1.0
  O  O29  1  0.644  0.655  0.460  1.0
  O  O30  1  0.356  0.345  0.540  1.0
  O  O31  1  0.144  0.845  0.540  1.0
  O  O32  1  0.029  0.404  0.658  1.0
  O  O33  1  0.471  0.904  0.658  1.0
  O  O34  1  0.603  0.198  0.802  1.0
  O  O35  1  0.897  0.698  0.802  1.0
  O  O36  1  0.274  0.046  0.847  1.0
  O  O37  1  0.226  0.546  0.847  1.0
  O  O38  1  0.955  0.308  0.908  1.0
  O  O39  1  0.545  0.808  0.908  1.0
[/CIF]
.
The compound described by LiCrPH2O5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 3-coordinate geometry to one O(4) and two equivalent O(5) atoms. Cr(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(4) and one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Cr(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one P(1), and one H(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Li(1), one H(1), and one H(2) atom. is represented by the CIF file [CIF]
data_LiCrPH2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.293
_cell_length_b   6.057
_cell_length_c   9.867
_cell_angle_alpha   85.795
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   434.722
_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
  Li  Li0  1  0.440  0.421  0.351  1.0
  Li  Li1  1  0.060  0.921  0.351  1.0
  Li  Li2  1  0.940  0.079  0.649  1.0
  Li  Li3  1  0.560  0.579  0.649  1.0
  Cr  Cr4  1  0.194  0.208  0.013  1.0
  Cr  Cr5  1  0.306  0.708  0.013  1.0
  Cr  Cr6  1  0.694  0.292  0.987  1.0
  Cr  Cr7  1  0.806  0.792  0.987  1.0
  P  P8  1  0.528  0.004  0.202  1.0
  P  P9  1  0.972  0.504  0.202  1.0
  P  P10  1  0.028  0.496  0.798  1.0
  P  P11  1  0.472  0.996  0.798  1.0
  H  H12  1  0.733  0.144  0.416  1.0
  H  H13  1  0.896  0.310  0.442  1.0
  H  H14  1  0.767  0.644  0.416  1.0
  H  H15  1  0.604  0.810  0.442  1.0
  H  H16  1  0.396  0.190  0.558  1.0
  H  H17  1  0.233  0.356  0.584  1.0
  H  H18  1  0.104  0.690  0.558  1.0
  H  H19  1  0.267  0.856  0.584  1.0
  O  O20  1  0.455  0.192  0.092  1.0
  O  O21  1  0.045  0.692  0.092  1.0
  O  O22  1  0.774  0.454  0.153  1.0
  O  O23  1  0.726  0.954  0.153  1.0
  O  O24  1  0.103  0.302  0.198  1.0
  O  O25  1  0.397  0.802  0.198  1.0
  O  O26  1  0.529  0.096  0.342  1.0
  O  O27  1  0.971  0.596  0.342  1.0
  O  O28  1  0.856  0.155  0.460  1.0
  O  O29  1  0.644  0.655  0.460  1.0
  O  O30  1  0.356  0.345  0.540  1.0
  O  O31  1  0.144  0.845  0.540  1.0
  O  O32  1  0.029  0.404  0.658  1.0
  O  O33  1  0.471  0.904  0.658  1.0
  O  O34  1  0.603  0.198  0.802  1.0
  O  O35  1  0.897  0.698  0.802  1.0
  O  O36  1  0.274  0.046  0.847  1.0
  O  O37  1  0.226  0.546  0.847  1.0
  O  O38  1  0.955  0.308  0.908  1.0
  O  O39  1  0.545  0.808  0.908  1.0
[/CIF]
.