The material structure described by LiCr(PO3)4 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in an L-shaped geometry to two equivalent O(5) atoms. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-48°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the second O site, O(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(7) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. In the fourth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the fifth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the sixth O site, O(3) is bonded in a bent 120 degrees geometry to two equivalent P(2) atoms. In the seventh O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCr(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.481
_cell_length_b   10.481
_cell_length_c   5.168
_cell_angle_alpha   81.824
_cell_angle_beta   81.824
_cell_angle_gamma   71.285
_symmetry_Int_Tables_number   1
_cell_volume   529.434
_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  0.417  0.417  0.564  1.0
  Li  Li1  1  0.583  0.583  0.436  1.0
  Cr  Cr2  1  0.000  0.500  0.000  1.0
  Cr  Cr3  1  0.500  0.000  0.000  1.0
  P  P4  1  0.061  0.304  0.533  1.0
  P  P5  1  0.633  0.212  0.175  1.0
  P  P6  1  0.788  0.367  0.825  1.0
  P  P7  1  0.367  0.788  0.825  1.0
  P  P8  1  0.939  0.696  0.467  1.0
  P  P9  1  0.212  0.633  0.175  1.0
  P  P10  1  0.304  0.061  0.533  1.0
  P  P11  1  0.696  0.939  0.467  1.0
  O  O12  1  0.603  0.907  0.306  1.0
  O  O13  1  0.163  0.556  0.004  1.0
  O  O14  1  0.444  0.837  0.996  1.0
  O  O15  1  0.837  0.444  0.996  1.0
  O  O16  1  0.766  0.234  0.000  1.0
  O  O17  1  0.234  0.766  0.000  1.0
  O  O18  1  0.922  0.666  0.761  1.0
  O  O19  1  0.666  0.922  0.761  1.0
  O  O20  1  0.670  0.441  0.679  1.0
  O  O21  1  0.441  0.670  0.679  1.0
  O  O22  1  0.289  0.914  0.626  1.0
  O  O23  1  0.914  0.289  0.626  1.0
  O  O24  1  0.849  0.849  0.393  1.0
  O  O25  1  0.397  0.093  0.694  1.0
  O  O26  1  0.078  0.334  0.239  1.0
  O  O27  1  0.907  0.603  0.306  1.0
  O  O28  1  0.093  0.397  0.694  1.0
  O  O29  1  0.151  0.151  0.607  1.0
  O  O30  1  0.711  0.086  0.374  1.0
  O  O31  1  0.086  0.711  0.374  1.0
  O  O32  1  0.559  0.330  0.321  1.0
  O  O33  1  0.330  0.559  0.321  1.0
  O  O34  1  0.334  0.078  0.239  1.0
  O  O35  1  0.556  0.163  0.004  1.0
[/CIF]
.
The material structure described by LiCr(PO3)4 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in an L-shaped geometry to two equivalent O(5) atoms. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-48°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the second O site, O(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(7) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. In the fourth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the fifth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the sixth O site, O(3) is bonded in a bent 120 degrees geometry to two equivalent P(2) atoms. In the seventh O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCr(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.481
_cell_length_b   10.481
_cell_length_c   5.168
_cell_angle_alpha   81.824
_cell_angle_beta   81.824
_cell_angle_gamma   71.285
_symmetry_Int_Tables_number   1
_cell_volume   529.434
_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  0.417  0.417  0.564  1.0
  Li  Li1  1  0.583  0.583  0.436  1.0
  Cr  Cr2  1  0.000  0.500  0.000  1.0
  Cr  Cr3  1  0.500  0.000  0.000  1.0
  P  P4  1  0.061  0.304  0.533  1.0
  P  P5  1  0.633  0.212  0.175  1.0
  P  P6  1  0.788  0.367  0.825  1.0
  P  P7  1  0.367  0.788  0.825  1.0
  P  P8  1  0.939  0.696  0.467  1.0
  P  P9  1  0.212  0.633  0.175  1.0
  P  P10  1  0.304  0.061  0.533  1.0
  P  P11  1  0.696  0.939  0.467  1.0
  O  O12  1  0.603  0.907  0.306  1.0
  O  O13  1  0.163  0.556  0.004  1.0
  O  O14  1  0.444  0.837  0.996  1.0
  O  O15  1  0.837  0.444  0.996  1.0
  O  O16  1  0.766  0.234  0.000  1.0
  O  O17  1  0.234  0.766  0.000  1.0
  O  O18  1  0.922  0.666  0.761  1.0
  O  O19  1  0.666  0.922  0.761  1.0
  O  O20  1  0.670  0.441  0.679  1.0
  O  O21  1  0.441  0.670  0.679  1.0
  O  O22  1  0.289  0.914  0.626  1.0
  O  O23  1  0.914  0.289  0.626  1.0
  O  O24  1  0.849  0.849  0.393  1.0
  O  O25  1  0.397  0.093  0.694  1.0
  O  O26  1  0.078  0.334  0.239  1.0
  O  O27  1  0.907  0.603  0.306  1.0
  O  O28  1  0.093  0.397  0.694  1.0
  O  O29  1  0.151  0.151  0.607  1.0
  O  O30  1  0.711  0.086  0.374  1.0
  O  O31  1  0.086  0.711  0.374  1.0
  O  O32  1  0.559  0.330  0.321  1.0
  O  O33  1  0.330  0.559  0.321  1.0
  O  O34  1  0.334  0.078  0.239  1.0
  O  O35  1  0.556  0.163  0.004  1.0
[/CIF]
.