The structure described by Li(Fe3P2)2 crystallizes in the hexagonal P-6m2 space group. Li(1) is bonded to six equivalent Fe(1) and six equivalent P(2) atoms to form distorted face-sharing LiFe6P6 cuboctahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to two equivalent Li(1), two equivalent P(1), and two equivalent P(2) atoms. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one P(1) and four equivalent P(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to three equivalent Fe(2) and six equivalent Fe(1) atoms. In the second P site, P(2) is bonded in a 8-coordinate geometry to two equivalent Li(1), two equivalent Fe(1), and four equivalent Fe(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(Fe3P2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.702
_cell_length_b   6.702
_cell_length_c   3.232
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   125.741
_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
  Li  Li0  1  0.333  0.667  0.000  1.0
  Fe  Fe1  1  0.533  0.467  0.500  1.0
  Fe  Fe2  1  0.533  0.066  0.500  1.0
  Fe  Fe3  1  0.934  0.467  0.500  1.0
  Fe  Fe4  1  0.873  0.127  0.000  1.0
  Fe  Fe5  1  0.873  0.746  0.000  1.0
  Fe  Fe6  1  0.254  0.127  0.000  1.0
  P  P7  1  0.667  0.333  0.000  1.0
  P  P8  1  0.693  0.847  0.500  1.0
  P  P9  1  0.153  0.307  0.500  1.0
  P  P10  1  0.153  0.847  0.500  1.0
[/CIF]
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The structure described by Li(Fe3P2)2 crystallizes in the hexagonal P-6m2 space group. Li(1) is bonded to six equivalent Fe(1) and six equivalent P(2) atoms to form distorted face-sharing LiFe6P6 cuboctahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to two equivalent Li(1), two equivalent P(1), and two equivalent P(2) atoms. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one P(1) and four equivalent P(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to three equivalent Fe(2) and six equivalent Fe(1) atoms. In the second P site, P(2) is bonded in a 8-coordinate geometry to two equivalent Li(1), two equivalent Fe(1), and four equivalent Fe(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(Fe3P2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.702
_cell_length_b   6.702
_cell_length_c   3.232
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   125.741
_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
  Li  Li0  1  0.333  0.667  0.000  1.0
  Fe  Fe1  1  0.533  0.467  0.500  1.0
  Fe  Fe2  1  0.533  0.066  0.500  1.0
  Fe  Fe3  1  0.934  0.467  0.500  1.0
  Fe  Fe4  1  0.873  0.127  0.000  1.0
  Fe  Fe5  1  0.873  0.746  0.000  1.0
  Fe  Fe6  1  0.254  0.127  0.000  1.0
  P  P7  1  0.667  0.333  0.000  1.0
  P  P8  1  0.693  0.847  0.500  1.0
  P  P9  1  0.153  0.307  0.500  1.0
  P  P10  1  0.153  0.847  0.500  1.0
[/CIF]
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