The crystal structure described by LiFePO4 crystallizes in the orthorhombic Fdd2 space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. Fe(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. P(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Fe(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Fe(1), and one P(1) atom. is represented by the CIF card [CIF]
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.548
_cell_length_b   6.286
_cell_length_c   5.551
_cell_angle_alpha   76.194
_cell_angle_beta   62.657
_cell_angle_gamma   103.802
_symmetry_Int_Tables_number   1
_cell_volume   152.771
_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  0.434  0.250  0.434  1.0
  Li  Li1  1  0.184  0.750  0.184  1.0
  Fe  Fe2  1  0.812  0.250  0.812  1.0
  Fe  Fe3  1  0.562  0.750  0.562  1.0
  P  P4  1  0.130  0.250  0.130  1.0
  P  P5  1  0.880  0.750  0.880  1.0
  O  O6  1  0.802  0.091  0.248  1.0
  O  O7  1  0.316  0.103  0.134  1.0
  O  O8  1  0.737  0.603  0.213  1.0
  O  O9  1  0.838  0.590  0.712  1.0
  O  O10  1  0.134  0.397  0.316  1.0
  O  O11  1  0.248  0.410  0.802  1.0
  O  O12  1  0.711  0.910  0.838  1.0
  O  O13  1  0.213  0.897  0.737  1.0
[/CIF]
.
The crystal structure described by LiFePO4 crystallizes in the orthorhombic Fdd2 space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. Fe(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. P(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Fe(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Fe(1), and one P(1) atom. is represented by the CIF card [CIF]
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.548
_cell_length_b   6.286
_cell_length_c   5.551
_cell_angle_alpha   76.194
_cell_angle_beta   62.657
_cell_angle_gamma   103.802
_symmetry_Int_Tables_number   1
_cell_volume   152.771
_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  0.434  0.250  0.434  1.0
  Li  Li1  1  0.184  0.750  0.184  1.0
  Fe  Fe2  1  0.812  0.250  0.812  1.0
  Fe  Fe3  1  0.562  0.750  0.562  1.0
  P  P4  1  0.130  0.250  0.130  1.0
  P  P5  1  0.880  0.750  0.880  1.0
  O  O6  1  0.802  0.091  0.248  1.0
  O  O7  1  0.316  0.103  0.134  1.0
  O  O8  1  0.737  0.603  0.213  1.0
  O  O9  1  0.838  0.590  0.712  1.0
  O  O10  1  0.134  0.397  0.316  1.0
  O  O11  1  0.248  0.410  0.802  1.0
  O  O12  1  0.711  0.910  0.838  1.0
  O  O13  1  0.213  0.897  0.737  1.0
[/CIF]
.