The crystal structure described by Li2Fe3P9O28 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(7) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(13), two equivalent O(7), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(11), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(5)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-59°. In the second P site, P(2) is bonded to one O(12), one O(2), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-55°. In the third P site, P(3) is bonded to one O(11), one O(14), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one P(5)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-53°. In the fourth P site, P(4) is bonded to one O(12), one O(13), one O(3), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one P(5)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-54°. In the fifth P site, P(5) is bonded to two equivalent O(10), two equivalent O(14), and two equivalent O(8) atoms to form corner-sharing PO6 octahedra. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(2), 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(2), and one P(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Fe(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one P(4) and one P(5) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one P(1) and one P(5) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one P(3) and one P(5) atom. is represented by the CIF card [CIF]
data_Li2Fe3P9O28
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.101
_cell_length_b   9.037
_cell_length_c   9.251
_cell_angle_alpha   111.440
_cell_angle_beta   109.304
_cell_angle_gamma   98.439
_symmetry_Int_Tables_number   1
_cell_volume   496.750
_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  0.701  0.923  0.234  1.0
  Li  Li1  1  0.299  0.077  0.766  1.0
  Fe  Fe2  1  0.500  0.500  0.000  1.0
  Fe  Fe3  1  0.231  0.978  0.238  1.0
  Fe  Fe4  1  0.769  0.022  0.762  1.0
  P  P5  1  0.314  0.759  0.462  1.0
  P  P6  1  0.785  0.759  0.933  1.0
  P  P7  1  0.690  0.706  0.423  1.0
  P  P8  1  0.141  0.667  0.889  1.0
  P  P9  1  0.000  0.500  0.500  1.0
  P  P10  1  0.310  0.294  0.577  1.0
  P  P11  1  0.859  0.333  0.111  1.0
  P  P12  1  0.686  0.241  0.538  1.0
  P  P13  1  0.215  0.241  0.067  1.0
  O  O14  1  0.423  0.915  0.634  1.0
  O  O15  1  0.914  0.892  0.120  1.0
  O  O16  1  0.263  0.849  0.020  1.0
  O  O17  1  0.816  0.884  0.557  1.0
  O  O18  1  0.750  0.828  0.805  1.0
  O  O19  1  0.242  0.797  0.309  1.0
  O  O20  1  0.636  0.698  0.246  1.0
  O  O21  1  0.109  0.655  0.707  1.0
  O  O22  1  0.582  0.660  0.918  1.0
  O  O23  1  0.121  0.636  0.445  1.0
  O  O24  1  0.473  0.651  0.440  1.0
  O  O25  1  0.911  0.627  0.884  1.0
  O  O26  1  0.225  0.537  0.929  1.0
  O  O27  1  0.784  0.568  0.454  1.0
  O  O28  1  0.775  0.463  0.071  1.0
  O  O29  1  0.216  0.432  0.546  1.0
  O  O30  1  0.527  0.349  0.560  1.0
  O  O31  1  0.089  0.373  0.116  1.0
  O  O32  1  0.418  0.340  0.082  1.0
  O  O33  1  0.879  0.364  0.555  1.0
  O  O34  1  0.364  0.302  0.754  1.0
  O  O35  1  0.891  0.345  0.293  1.0
  O  O36  1  0.250  0.172  0.195  1.0
  O  O37  1  0.758  0.203  0.691  1.0
  O  O38  1  0.737  0.151  0.980  1.0
  O  O39  1  0.184  0.116  0.443  1.0
  O  O40  1  0.577  0.085  0.366  1.0
  O  O41  1  0.086  0.108  0.880  1.0
[/CIF]
.
The crystal structure described by Li2Fe3P9O28 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(7) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(13), two equivalent O(7), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(11), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(5)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-59°. In the second P site, P(2) is bonded to one O(12), one O(2), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-55°. In the third P site, P(3) is bonded to one O(11), one O(14), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one P(5)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-53°. In the fourth P site, P(4) is bonded to one O(12), one O(13), one O(3), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one P(5)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-54°. In the fifth P site, P(5) is bonded to two equivalent O(10), two equivalent O(14), and two equivalent O(8) atoms to form corner-sharing PO6 octahedra. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(2), 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(2), and one P(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Fe(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one P(4) and one P(5) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one P(1) and one P(5) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one P(3) and one P(5) atom. is represented by the CIF card [CIF]
data_Li2Fe3P9O28
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.101
_cell_length_b   9.037
_cell_length_c   9.251
_cell_angle_alpha   111.440
_cell_angle_beta   109.304
_cell_angle_gamma   98.439
_symmetry_Int_Tables_number   1
_cell_volume   496.750
_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  0.701  0.923  0.234  1.0
  Li  Li1  1  0.299  0.077  0.766  1.0
  Fe  Fe2  1  0.500  0.500  0.000  1.0
  Fe  Fe3  1  0.231  0.978  0.238  1.0
  Fe  Fe4  1  0.769  0.022  0.762  1.0
  P  P5  1  0.314  0.759  0.462  1.0
  P  P6  1  0.785  0.759  0.933  1.0
  P  P7  1  0.690  0.706  0.423  1.0
  P  P8  1  0.141  0.667  0.889  1.0
  P  P9  1  0.000  0.500  0.500  1.0
  P  P10  1  0.310  0.294  0.577  1.0
  P  P11  1  0.859  0.333  0.111  1.0
  P  P12  1  0.686  0.241  0.538  1.0
  P  P13  1  0.215  0.241  0.067  1.0
  O  O14  1  0.423  0.915  0.634  1.0
  O  O15  1  0.914  0.892  0.120  1.0
  O  O16  1  0.263  0.849  0.020  1.0
  O  O17  1  0.816  0.884  0.557  1.0
  O  O18  1  0.750  0.828  0.805  1.0
  O  O19  1  0.242  0.797  0.309  1.0
  O  O20  1  0.636  0.698  0.246  1.0
  O  O21  1  0.109  0.655  0.707  1.0
  O  O22  1  0.582  0.660  0.918  1.0
  O  O23  1  0.121  0.636  0.445  1.0
  O  O24  1  0.473  0.651  0.440  1.0
  O  O25  1  0.911  0.627  0.884  1.0
  O  O26  1  0.225  0.537  0.929  1.0
  O  O27  1  0.784  0.568  0.454  1.0
  O  O28  1  0.775  0.463  0.071  1.0
  O  O29  1  0.216  0.432  0.546  1.0
  O  O30  1  0.527  0.349  0.560  1.0
  O  O31  1  0.089  0.373  0.116  1.0
  O  O32  1  0.418  0.340  0.082  1.0
  O  O33  1  0.879  0.364  0.555  1.0
  O  O34  1  0.364  0.302  0.754  1.0
  O  O35  1  0.891  0.345  0.293  1.0
  O  O36  1  0.250  0.172  0.195  1.0
  O  O37  1  0.758  0.203  0.691  1.0
  O  O38  1  0.737  0.151  0.980  1.0
  O  O39  1  0.184  0.116  0.443  1.0
  O  O40  1  0.577  0.085  0.366  1.0
  O  O41  1  0.086  0.108  0.880  1.0
[/CIF]
.