The material structure described by Li8Fe3Sn(PO4)6 crystallizes in the trigonal R3 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(6), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a distorted T-shaped geometry to three equivalent O(1) atoms. In the third Li site, Li(3) is bonded in a distorted T-shaped geometry to one O(2), one O(5), and one O(7) atom. In the fourth Li site, Li(4) is bonded in a 3-coordinate geometry to three equivalent O(5) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(6) atoms. In the second Fe site, Fe(2) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form distorted FeO6 octahedra that share 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(3) and three equivalent O(8) atoms to form FeO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. Sn(1) is bonded to three equivalent O(4) and three equivalent O(7) atoms to form SnO6 octahedra 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(4) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, and  a cornercorner with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-47°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, and  a cornercorner with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-45°. There are eight inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Li(1), one Fe(3), and one P(1) atom. In the second O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Fe(2), and one P(2) atom. In the third O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one P(2) atom. In the fourth O site, O(7) is bonded in a distorted T-shaped geometry to one Li(3), one Sn(1), and one P(2) atom. In the fifth O site, O(8) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(2) atom. In the sixth O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one P(1) atom. In the seventh O site, O(2) is bonded in a 3-coordinate geometry to one Li(3), one Fe(2), and one P(1) atom. In the eighth O site, O(4) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. is represented by the CIF card [CIF]
data_Li8Fe3Sn(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.851
_cell_length_b   8.851
_cell_length_c   8.851
_cell_angle_alpha   61.674
_cell_angle_beta   61.674
_cell_angle_gamma   61.674
_symmetry_Int_Tables_number   1
_cell_volume   508.658
_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  0.644  0.238  0.798  1.0
  Li  Li1  1  0.969  0.969  0.969  1.0
  Li  Li2  1  0.238  0.798  0.644  1.0
  Li  Li3  1  0.798  0.644  0.238  1.0
  Li  Li4  1  0.143  0.309  0.720  1.0
  Li  Li5  1  0.475  0.475  0.475  1.0
  Li  Li6  1  0.720  0.143  0.309  1.0
  Li  Li7  1  0.309  0.720  0.143  1.0
  Fe  Fe8  1  0.845  0.845  0.845  1.0
  Fe  Fe9  1  0.346  0.346  0.346  1.0
  Fe  Fe10  1  0.646  0.646  0.646  1.0
  Sn  Sn11  1  0.145  0.145  0.145  1.0
  P  P12  1  0.549  0.950  0.250  1.0
  P  P13  1  0.250  0.549  0.950  1.0
  P  P14  1  0.950  0.250  0.549  1.0
  P  P15  1  0.051  0.750  0.453  1.0
  P  P16  1  0.750  0.453  0.051  1.0
  P  P17  1  0.453  0.051  0.750  1.0
  O  O18  1  0.732  0.922  0.093  1.0
  O  O19  1  0.526  0.104  0.302  1.0
  O  O20  1  0.559  0.766  0.407  1.0
  O  O21  1  0.302  0.526  0.104  1.0
  O  O22  1  0.407  0.559  0.766  1.0
  O  O23  1  0.104  0.302  0.526  1.0
  O  O24  1  0.386  0.995  0.195  1.0
  O  O25  1  0.093  0.732  0.922  1.0
  O  O26  1  0.195  0.386  0.995  1.0
  O  O27  1  0.922  0.093  0.732  1.0
  O  O28  1  0.995  0.195  0.386  1.0
  O  O29  1  0.766  0.407  0.559  1.0
  O  O30  1  0.236  0.597  0.420  1.0
  O  O31  1  0.034  0.807  0.601  1.0
  O  O32  1  0.073  0.909  0.259  1.0
  O  O33  1  0.807  0.601  0.034  1.0
  O  O34  1  0.909  0.259  0.073  1.0
  O  O35  1  0.601  0.034  0.807  1.0
  O  O36  1  0.888  0.705  0.491  1.0
  O  O37  1  0.597  0.420  0.236  1.0
  O  O38  1  0.705  0.491  0.888  1.0
  O  O39  1  0.420  0.236  0.597  1.0
  O  O40  1  0.491  0.888  0.705  1.0
  O  O41  1  0.259  0.073  0.909  1.0
[/CIF]
.
The material structure described by Li8Fe3Sn(PO4)6 crystallizes in the trigonal R3 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(6), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a distorted T-shaped geometry to three equivalent O(1) atoms. In the third Li site, Li(3) is bonded in a distorted T-shaped geometry to one O(2), one O(5), and one O(7) atom. In the fourth Li site, Li(4) is bonded in a 3-coordinate geometry to three equivalent O(5) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(6) atoms. In the second Fe site, Fe(2) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form distorted FeO6 octahedra that share 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(3) and three equivalent O(8) atoms to form FeO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. Sn(1) is bonded to three equivalent O(4) and three equivalent O(7) atoms to form SnO6 octahedra 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(4) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, and  a cornercorner with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-47°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, and  a cornercorner with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-45°. There are eight inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Li(1), one Fe(3), and one P(1) atom. In the second O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Fe(2), and one P(2) atom. In the third O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one P(2) atom. In the fourth O site, O(7) is bonded in a distorted T-shaped geometry to one Li(3), one Sn(1), and one P(2) atom. In the fifth O site, O(8) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(2) atom. In the sixth O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one P(1) atom. In the seventh O site, O(2) is bonded in a 3-coordinate geometry to one Li(3), one Fe(2), and one P(1) atom. In the eighth O site, O(4) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. is represented by the CIF card [CIF]
data_Li8Fe3Sn(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.851
_cell_length_b   8.851
_cell_length_c   8.851
_cell_angle_alpha   61.674
_cell_angle_beta   61.674
_cell_angle_gamma   61.674
_symmetry_Int_Tables_number   1
_cell_volume   508.658
_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  0.644  0.238  0.798  1.0
  Li  Li1  1  0.969  0.969  0.969  1.0
  Li  Li2  1  0.238  0.798  0.644  1.0
  Li  Li3  1  0.798  0.644  0.238  1.0
  Li  Li4  1  0.143  0.309  0.720  1.0
  Li  Li5  1  0.475  0.475  0.475  1.0
  Li  Li6  1  0.720  0.143  0.309  1.0
  Li  Li7  1  0.309  0.720  0.143  1.0
  Fe  Fe8  1  0.845  0.845  0.845  1.0
  Fe  Fe9  1  0.346  0.346  0.346  1.0
  Fe  Fe10  1  0.646  0.646  0.646  1.0
  Sn  Sn11  1  0.145  0.145  0.145  1.0
  P  P12  1  0.549  0.950  0.250  1.0
  P  P13  1  0.250  0.549  0.950  1.0
  P  P14  1  0.950  0.250  0.549  1.0
  P  P15  1  0.051  0.750  0.453  1.0
  P  P16  1  0.750  0.453  0.051  1.0
  P  P17  1  0.453  0.051  0.750  1.0
  O  O18  1  0.732  0.922  0.093  1.0
  O  O19  1  0.526  0.104  0.302  1.0
  O  O20  1  0.559  0.766  0.407  1.0
  O  O21  1  0.302  0.526  0.104  1.0
  O  O22  1  0.407  0.559  0.766  1.0
  O  O23  1  0.104  0.302  0.526  1.0
  O  O24  1  0.386  0.995  0.195  1.0
  O  O25  1  0.093  0.732  0.922  1.0
  O  O26  1  0.195  0.386  0.995  1.0
  O  O27  1  0.922  0.093  0.732  1.0
  O  O28  1  0.995  0.195  0.386  1.0
  O  O29  1  0.766  0.407  0.559  1.0
  O  O30  1  0.236  0.597  0.420  1.0
  O  O31  1  0.034  0.807  0.601  1.0
  O  O32  1  0.073  0.909  0.259  1.0
  O  O33  1  0.807  0.601  0.034  1.0
  O  O34  1  0.909  0.259  0.073  1.0
  O  O35  1  0.601  0.034  0.807  1.0
  O  O36  1  0.888  0.705  0.491  1.0
  O  O37  1  0.597  0.420  0.236  1.0
  O  O38  1  0.705  0.491  0.888  1.0
  O  O39  1  0.420  0.236  0.597  1.0
  O  O40  1  0.491  0.888  0.705  1.0
  O  O41  1  0.259  0.073  0.909  1.0
[/CIF]
.