The compound described by Li7Fe3Sb(PO4)6 crystallizes in the trigonal R3 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-72°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(5), one O(6), and two equivalent O(7) atoms. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to three equivalent O(2) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(3) and three equivalent O(8) atoms to form FeO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with three equivalent Li(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form distorted FeO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to three equivalent O(1) and three equivalent O(7) atoms to form FeO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. Sb(1) is bonded to three equivalent O(5) and three equivalent O(6) atoms to form distorted SbO6 pentagonal pyramids that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(6) 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 Fe(3)O6 octahedra,  a cornercorner with one Sb(1)O6 pentagonal pyramid, and corners with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-61°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(7), 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 Fe(3)O6 octahedra,  a cornercorner with one Sb(1)O6 pentagonal pyramid, and  a cornercorner with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-41°. There are eight inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Sb(1), and one P(1) atom. In the second O site, O(8) is bonded in a distorted T-shaped geometry to one Li(1), one Fe(1), and one P(2) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(3), and one P(1) atom. In the fourth O site, O(2) is bonded to one Li(1), one Li(3), one Fe(2), and one P(1) atom to form distorted edge-sharing OLi2FeP trigonal pyramids. In the fifth O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Fe(1), and one P(1) atom. In the sixth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(2) atom. In the seventh O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Sb(1), and one P(2) atom. In the eighth O site, O(7) is bonded in a distorted see-saw-like geometry to two equivalent Li(2), one Fe(3), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li7Fe3Sb(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.945
_cell_length_b   8.945
_cell_length_c   8.945
_cell_angle_alpha   58.372
_cell_angle_beta   58.372
_cell_angle_gamma   58.372
_symmetry_Int_Tables_number   1
_cell_volume   487.273
_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  0.930  0.636  0.292  1.0
  Li  Li1  1  0.636  0.292  0.930  1.0
  Li  Li2  1  0.292  0.930  0.636  1.0
  Li  Li3  1  0.249  0.403  0.698  1.0
  Li  Li4  1  0.698  0.249  0.403  1.0
  Li  Li5  1  0.403  0.698  0.249  1.0
  Li  Li6  1  0.996  0.996  0.996  1.0
  Fe  Fe7  1  0.657  0.657  0.657  1.0
  Fe  Fe8  1  0.859  0.859  0.859  1.0
  Fe  Fe9  1  0.344  0.344  0.344  1.0
  Sb  Sb10  1  0.159  0.159  0.159  1.0
  P  P11  1  0.246  0.572  0.940  1.0
  P  P12  1  0.041  0.761  0.464  1.0
  P  P13  1  0.572  0.940  0.246  1.0
  P  P14  1  0.464  0.041  0.761  1.0
  P  P15  1  0.940  0.246  0.572  1.0
  P  P16  1  0.761  0.464  0.041  1.0
  O  O17  1  0.197  0.524  0.150  1.0
  O  O18  1  0.129  0.784  0.863  1.0
  O  O19  1  0.458  0.537  0.828  1.0
  O  O20  1  0.150  0.197  0.524  1.0
  O  O21  1  0.009  0.810  0.622  1.0
  O  O22  1  0.114  0.901  0.264  1.0
  O  O23  1  0.524  0.150  0.197  1.0
  O  O24  1  0.200  0.448  0.910  1.0
  O  O25  1  0.203  0.570  0.464  1.0
  O  O26  1  0.784  0.863  0.129  1.0
  O  O27  1  0.537  0.828  0.458  1.0
  O  O28  1  0.448  0.910  0.200  1.0
  O  O29  1  0.622  0.009  0.810  1.0
  O  O30  1  0.464  0.203  0.570  1.0
  O  O31  1  0.264  0.114  0.901  1.0
  O  O32  1  0.828  0.458  0.537  1.0
  O  O33  1  0.810  0.622  0.009  1.0
  O  O34  1  0.474  0.862  0.766  1.0
  O  O35  1  0.863  0.129  0.784  1.0
  O  O36  1  0.910  0.200  0.448  1.0
  O  O37  1  0.862  0.766  0.474  1.0
  O  O38  1  0.570  0.464  0.203  1.0
  O  O39  1  0.766  0.474  0.862  1.0
  O  O40  1  0.901  0.264  0.114  1.0
[/CIF]
.
The compound described by Li7Fe3Sb(PO4)6 crystallizes in the trigonal R3 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-72°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(5), one O(6), and two equivalent O(7) atoms. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to three equivalent O(2) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(3) and three equivalent O(8) atoms to form FeO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with three equivalent Li(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form distorted FeO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to three equivalent O(1) and three equivalent O(7) atoms to form FeO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. Sb(1) is bonded to three equivalent O(5) and three equivalent O(6) atoms to form distorted SbO6 pentagonal pyramids that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(6) 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 Fe(3)O6 octahedra,  a cornercorner with one Sb(1)O6 pentagonal pyramid, and corners with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-61°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(7), 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 Fe(3)O6 octahedra,  a cornercorner with one Sb(1)O6 pentagonal pyramid, and  a cornercorner with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-41°. There are eight inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Sb(1), and one P(1) atom. In the second O site, O(8) is bonded in a distorted T-shaped geometry to one Li(1), one Fe(1), and one P(2) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(3), and one P(1) atom. In the fourth O site, O(2) is bonded to one Li(1), one Li(3), one Fe(2), and one P(1) atom to form distorted edge-sharing OLi2FeP trigonal pyramids. In the fifth O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Fe(1), and one P(1) atom. In the sixth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(2) atom. In the seventh O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Sb(1), and one P(2) atom. In the eighth O site, O(7) is bonded in a distorted see-saw-like geometry to two equivalent Li(2), one Fe(3), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li7Fe3Sb(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.945
_cell_length_b   8.945
_cell_length_c   8.945
_cell_angle_alpha   58.372
_cell_angle_beta   58.372
_cell_angle_gamma   58.372
_symmetry_Int_Tables_number   1
_cell_volume   487.273
_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  0.930  0.636  0.292  1.0
  Li  Li1  1  0.636  0.292  0.930  1.0
  Li  Li2  1  0.292  0.930  0.636  1.0
  Li  Li3  1  0.249  0.403  0.698  1.0
  Li  Li4  1  0.698  0.249  0.403  1.0
  Li  Li5  1  0.403  0.698  0.249  1.0
  Li  Li6  1  0.996  0.996  0.996  1.0
  Fe  Fe7  1  0.657  0.657  0.657  1.0
  Fe  Fe8  1  0.859  0.859  0.859  1.0
  Fe  Fe9  1  0.344  0.344  0.344  1.0
  Sb  Sb10  1  0.159  0.159  0.159  1.0
  P  P11  1  0.246  0.572  0.940  1.0
  P  P12  1  0.041  0.761  0.464  1.0
  P  P13  1  0.572  0.940  0.246  1.0
  P  P14  1  0.464  0.041  0.761  1.0
  P  P15  1  0.940  0.246  0.572  1.0
  P  P16  1  0.761  0.464  0.041  1.0
  O  O17  1  0.197  0.524  0.150  1.0
  O  O18  1  0.129  0.784  0.863  1.0
  O  O19  1  0.458  0.537  0.828  1.0
  O  O20  1  0.150  0.197  0.524  1.0
  O  O21  1  0.009  0.810  0.622  1.0
  O  O22  1  0.114  0.901  0.264  1.0
  O  O23  1  0.524  0.150  0.197  1.0
  O  O24  1  0.200  0.448  0.910  1.0
  O  O25  1  0.203  0.570  0.464  1.0
  O  O26  1  0.784  0.863  0.129  1.0
  O  O27  1  0.537  0.828  0.458  1.0
  O  O28  1  0.448  0.910  0.200  1.0
  O  O29  1  0.622  0.009  0.810  1.0
  O  O30  1  0.464  0.203  0.570  1.0
  O  O31  1  0.264  0.114  0.901  1.0
  O  O32  1  0.828  0.458  0.537  1.0
  O  O33  1  0.810  0.622  0.009  1.0
  O  O34  1  0.474  0.862  0.766  1.0
  O  O35  1  0.863  0.129  0.784  1.0
  O  O36  1  0.910  0.200  0.448  1.0
  O  O37  1  0.862  0.766  0.474  1.0
  O  O38  1  0.570  0.464  0.203  1.0
  O  O39  1  0.766  0.474  0.862  1.0
  O  O40  1  0.901  0.264  0.114  1.0
[/CIF]
.