The crystal structure described by LiCrPH2O5 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form LiO4 tetrahedra that share corners with three equivalent Cr(1)O5 square pyramids and corners with three equivalent P(1)O4 tetrahedra. Cr(1) is bonded to one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form distorted CrO5 square pyramids that share corners with two equivalent Cr(1)O5 square pyramids, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent Cr(1)O5 square pyramids, corners with three equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Cr(1)O5 square pyramid. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cr(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCrPH2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.046
_cell_length_b   8.297
_cell_length_c   10.546
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   441.486
_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  0.714  0.308  0.193  1.0
  Li  Li1  1  0.214  0.808  0.307  1.0
  Li  Li2  1  0.714  0.192  0.693  1.0
  Li  Li3  1  0.214  0.692  0.807  1.0
  Cr  Cr4  1  0.265  0.106  0.102  1.0
  Cr  Cr5  1  0.765  0.606  0.398  1.0
  Cr  Cr6  1  0.265  0.394  0.602  1.0
  Cr  Cr7  1  0.765  0.894  0.898  1.0
  P  P8  1  0.693  0.915  0.189  1.0
  P  P9  1  0.193  0.415  0.311  1.0
  P  P10  1  0.693  0.585  0.689  1.0
  P  P11  1  0.193  0.085  0.811  1.0
  H  H12  1  0.333  0.532  0.996  1.0
  H  H13  1  0.167  0.674  0.050  1.0
  H  H14  1  0.667  0.174  0.450  1.0
  H  H15  1  0.833  0.032  0.504  1.0
  H  H16  1  0.333  0.968  0.496  1.0
  H  H17  1  0.167  0.826  0.550  1.0
  H  H18  1  0.667  0.326  0.950  1.0
  H  H19  1  0.833  0.468  0.004  1.0
  O  O20  1  0.666  0.408  0.018  1.0
  O  O21  1  0.540  0.874  0.062  1.0
  O  O22  1  0.590  0.089  0.219  1.0
  O  O23  1  0.995  0.908  0.170  1.0
  O  O24  1  0.103  0.301  0.203  1.0
  O  O25  1  0.603  0.801  0.297  1.0
  O  O26  1  0.495  0.408  0.330  1.0
  O  O27  1  0.090  0.589  0.281  1.0
  O  O28  1  0.040  0.374  0.438  1.0
  O  O29  1  0.166  0.908  0.482  1.0
  O  O30  1  0.666  0.092  0.518  1.0
  O  O31  1  0.540  0.626  0.562  1.0
  O  O32  1  0.590  0.411  0.719  1.0
  O  O33  1  0.995  0.592  0.670  1.0
  O  O34  1  0.103  0.199  0.703  1.0
  O  O35  1  0.603  0.699  0.797  1.0
  O  O36  1  0.495  0.092  0.830  1.0
  O  O37  1  0.090  0.911  0.781  1.0
  O  O38  1  0.040  0.126  0.938  1.0
  O  O39  1  0.166  0.592  0.982  1.0
[/CIF]
.
The crystal structure described by LiCrPH2O5 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form LiO4 tetrahedra that share corners with three equivalent Cr(1)O5 square pyramids and corners with three equivalent P(1)O4 tetrahedra. Cr(1) is bonded to one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form distorted CrO5 square pyramids that share corners with two equivalent Cr(1)O5 square pyramids, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent Cr(1)O5 square pyramids, corners with three equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Cr(1)O5 square pyramid. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cr(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCrPH2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.046
_cell_length_b   8.297
_cell_length_c   10.546
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   441.486
_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  0.714  0.308  0.193  1.0
  Li  Li1  1  0.214  0.808  0.307  1.0
  Li  Li2  1  0.714  0.192  0.693  1.0
  Li  Li3  1  0.214  0.692  0.807  1.0
  Cr  Cr4  1  0.265  0.106  0.102  1.0
  Cr  Cr5  1  0.765  0.606  0.398  1.0
  Cr  Cr6  1  0.265  0.394  0.602  1.0
  Cr  Cr7  1  0.765  0.894  0.898  1.0
  P  P8  1  0.693  0.915  0.189  1.0
  P  P9  1  0.193  0.415  0.311  1.0
  P  P10  1  0.693  0.585  0.689  1.0
  P  P11  1  0.193  0.085  0.811  1.0
  H  H12  1  0.333  0.532  0.996  1.0
  H  H13  1  0.167  0.674  0.050  1.0
  H  H14  1  0.667  0.174  0.450  1.0
  H  H15  1  0.833  0.032  0.504  1.0
  H  H16  1  0.333  0.968  0.496  1.0
  H  H17  1  0.167  0.826  0.550  1.0
  H  H18  1  0.667  0.326  0.950  1.0
  H  H19  1  0.833  0.468  0.004  1.0
  O  O20  1  0.666  0.408  0.018  1.0
  O  O21  1  0.540  0.874  0.062  1.0
  O  O22  1  0.590  0.089  0.219  1.0
  O  O23  1  0.995  0.908  0.170  1.0
  O  O24  1  0.103  0.301  0.203  1.0
  O  O25  1  0.603  0.801  0.297  1.0
  O  O26  1  0.495  0.408  0.330  1.0
  O  O27  1  0.090  0.589  0.281  1.0
  O  O28  1  0.040  0.374  0.438  1.0
  O  O29  1  0.166  0.908  0.482  1.0
  O  O30  1  0.666  0.092  0.518  1.0
  O  O31  1  0.540  0.626  0.562  1.0
  O  O32  1  0.590  0.411  0.719  1.0
  O  O33  1  0.995  0.592  0.670  1.0
  O  O34  1  0.103  0.199  0.703  1.0
  O  O35  1  0.603  0.699  0.797  1.0
  O  O36  1  0.495  0.092  0.830  1.0
  O  O37  1  0.090  0.911  0.781  1.0
  O  O38  1  0.040  0.126  0.938  1.0
  O  O39  1  0.166  0.592  0.982  1.0
[/CIF]
.