The material structure described by LiFePO4 crystallizes in the monoclinic C2 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 four equivalent Fe(1)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. Fe(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted FeO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra and corners with four equivalent Fe(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.945
_cell_length_b   4.967
_cell_length_c   5.045
_cell_angle_alpha   119.204
_cell_angle_beta   119.046
_cell_angle_gamma   90.521
_symmetry_Int_Tables_number   1
_cell_volume   89.511
_cell_formula_units_Z   1
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
  Fe  Fe0  1  0.000  0.000  0.001  1.0
  Li  Li1  1  0.501  0.501  0.001  1.0
  O  O2  1  0.446  0.944  0.256  1.0
  O  O3  1  0.688  0.552  0.743  1.0
  O  O4  1  0.810  0.313  0.256  1.0
  O  O5  1  0.055  0.191  0.743  1.0
  P  P6  1  0.750  0.250  0.499  1.0
[/CIF]
.
The material structure described by LiFePO4 crystallizes in the monoclinic C2 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 four equivalent Fe(1)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. Fe(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted FeO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra and corners with four equivalent Fe(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.945
_cell_length_b   4.967
_cell_length_c   5.045
_cell_angle_alpha   119.204
_cell_angle_beta   119.046
_cell_angle_gamma   90.521
_symmetry_Int_Tables_number   1
_cell_volume   89.511
_cell_formula_units_Z   1
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
  Fe  Fe0  1  0.000  0.000  0.001  1.0
  Li  Li1  1  0.501  0.501  0.001  1.0
  O  O2  1  0.446  0.944  0.256  1.0
  O  O3  1  0.688  0.552  0.743  1.0
  O  O4  1  0.810  0.313  0.256  1.0
  O  O5  1  0.055  0.191  0.743  1.0
  P  P6  1  0.750  0.250  0.499  1.0
[/CIF]
.