The crystal structure described by LiCrPO4 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form distorted LiO4 trigonal pyramids that share corners with six equivalent Cr(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 75-78°. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra, corners with six equivalent Li(1)O4 trigonal pyramids, and edges with two equivalent Cr(1)O6 octahedra. P(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with six equivalent Cr(1)O6 octahedra and corners with four equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 46-55°. There are three 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. In the third O site, O(3) 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. is represented by the CIF file [CIF]
data_LiCrPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.225
_cell_length_b   6.481
_cell_length_c   5.087
_cell_angle_alpha   89.999
_cell_angle_beta   90.000
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   304.160
_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  0.166  0.750  0.457  1.0
  Li  Li1  1  0.334  0.250  0.957  1.0
  Li  Li2  1  0.666  0.750  0.043  1.0
  Li  Li3  1  0.834  0.250  0.543  1.0
  Cr  Cr4  1  1.000  1.000  0.000  1.0
  Cr  Cr5  1  0.000  0.500  1.000  1.0
  Cr  Cr6  1  0.500  0.000  0.500  1.0
  Cr  Cr7  1  0.500  0.500  0.500  1.0
  P  P8  1  0.183  0.250  0.461  1.0
  P  P9  1  0.317  0.750  0.961  1.0
  P  P10  1  0.683  0.250  0.039  1.0
  P  P11  1  0.817  0.750  0.539  1.0
  O  O12  1  0.148  0.250  0.757  1.0
  O  O13  1  0.123  0.053  0.329  1.0
  O  O14  1  0.123  0.447  0.329  1.0
  O  O15  1  0.146  0.750  0.908  1.0
  O  O16  1  0.354  0.250  0.408  1.0
  O  O17  1  0.377  0.947  0.829  1.0
  O  O18  1  0.377  0.553  0.829  1.0
  O  O19  1  0.352  0.750  0.257  1.0
  O  O20  1  0.648  0.250  0.743  1.0
  O  O21  1  0.623  0.053  0.171  1.0
  O  O22  1  0.623  0.447  0.171  1.0
  O  O23  1  0.646  0.750  0.592  1.0
  O  O24  1  0.854  0.250  0.092  1.0
  O  O25  1  0.877  0.553  0.671  1.0
  O  O26  1  0.877  0.947  0.671  1.0
  O  O27  1  0.852  0.750  0.243  1.0
[/CIF]
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The crystal structure described by LiCrPO4 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form distorted LiO4 trigonal pyramids that share corners with six equivalent Cr(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 75-78°. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra, corners with six equivalent Li(1)O4 trigonal pyramids, and edges with two equivalent Cr(1)O6 octahedra. P(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with six equivalent Cr(1)O6 octahedra and corners with four equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 46-55°. There are three 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. In the third O site, O(3) 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. is represented by the CIF file [CIF]
data_LiCrPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.225
_cell_length_b   6.481
_cell_length_c   5.087
_cell_angle_alpha   89.999
_cell_angle_beta   90.000
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   304.160
_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  0.166  0.750  0.457  1.0
  Li  Li1  1  0.334  0.250  0.957  1.0
  Li  Li2  1  0.666  0.750  0.043  1.0
  Li  Li3  1  0.834  0.250  0.543  1.0
  Cr  Cr4  1  1.000  1.000  0.000  1.0
  Cr  Cr5  1  0.000  0.500  1.000  1.0
  Cr  Cr6  1  0.500  0.000  0.500  1.0
  Cr  Cr7  1  0.500  0.500  0.500  1.0
  P  P8  1  0.183  0.250  0.461  1.0
  P  P9  1  0.317  0.750  0.961  1.0
  P  P10  1  0.683  0.250  0.039  1.0
  P  P11  1  0.817  0.750  0.539  1.0
  O  O12  1  0.148  0.250  0.757  1.0
  O  O13  1  0.123  0.053  0.329  1.0
  O  O14  1  0.123  0.447  0.329  1.0
  O  O15  1  0.146  0.750  0.908  1.0
  O  O16  1  0.354  0.250  0.408  1.0
  O  O17  1  0.377  0.947  0.829  1.0
  O  O18  1  0.377  0.553  0.829  1.0
  O  O19  1  0.352  0.750  0.257  1.0
  O  O20  1  0.648  0.250  0.743  1.0
  O  O21  1  0.623  0.053  0.171  1.0
  O  O22  1  0.623  0.447  0.171  1.0
  O  O23  1  0.646  0.750  0.592  1.0
  O  O24  1  0.854  0.250  0.092  1.0
  O  O25  1  0.877  0.553  0.671  1.0
  O  O26  1  0.877  0.947  0.671  1.0
  O  O27  1  0.852  0.750  0.243  1.0
[/CIF]
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