The structure described by LiCrPO4 crystallizes in the orthorhombic Cmcm space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted LiO4 tetrahedra that share corners with six equivalent Cr(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 71-77°. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, corners with six equivalent P(1)O4 tetrahedra, and edges with two equivalent Cr(1)O6 octahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with six equivalent Cr(1)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-50°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Cr(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLiCr2P tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. is represented by the CIF file [CIF]
data_LiCrPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.054
_cell_length_b   5.057
_cell_length_c   6.301
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   110.494
_symmetry_Int_Tables_number   1
_cell_volume   150.858
_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
  Cr  Cr0  1  1.000  1.000  1.000  1.0
  Cr  Cr1  1  0.000  0.000  0.500  1.0
  Li  Li2  1  0.334  0.666  0.750  1.0
  Li  Li3  1  0.666  0.334  0.250  1.0
  O  O4  1  0.751  0.681  0.750  1.0
  O  O5  1  0.682  0.752  0.250  1.0
  O  O6  1  0.318  0.248  0.750  1.0
  O  O7  1  0.249  0.319  0.250  1.0
  O  O8  1  0.755  0.245  0.548  1.0
  O  O9  1  0.245  0.755  0.452  1.0
  O  O10  1  0.245  0.755  0.048  1.0
  O  O11  1  0.755  0.245  0.952  1.0
  P  P12  1  0.649  0.350  0.750  1.0
  P  P13  1  0.351  0.650  0.250  1.0
[/CIF]
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The structure described by LiCrPO4 crystallizes in the orthorhombic Cmcm space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted LiO4 tetrahedra that share corners with six equivalent Cr(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 71-77°. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, corners with six equivalent P(1)O4 tetrahedra, and edges with two equivalent Cr(1)O6 octahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with six equivalent Cr(1)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-50°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Cr(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLiCr2P tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. is represented by the CIF file [CIF]
data_LiCrPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.054
_cell_length_b   5.057
_cell_length_c   6.301
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   110.494
_symmetry_Int_Tables_number   1
_cell_volume   150.858
_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
  Cr  Cr0  1  1.000  1.000  1.000  1.0
  Cr  Cr1  1  0.000  0.000  0.500  1.0
  Li  Li2  1  0.334  0.666  0.750  1.0
  Li  Li3  1  0.666  0.334  0.250  1.0
  O  O4  1  0.751  0.681  0.750  1.0
  O  O5  1  0.682  0.752  0.250  1.0
  O  O6  1  0.318  0.248  0.750  1.0
  O  O7  1  0.249  0.319  0.250  1.0
  O  O8  1  0.755  0.245  0.548  1.0
  O  O9  1  0.245  0.755  0.452  1.0
  O  O10  1  0.245  0.755  0.048  1.0
  O  O11  1  0.755  0.245  0.952  1.0
  P  P12  1  0.649  0.350  0.750  1.0
  P  P13  1  0.351  0.650  0.250  1.0
[/CIF]
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