The material structure described by LiSn4(PO4)3 crystallizes in the hexagonal P6_3 space group. Li(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Sn(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Sn(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Sn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Sn(1) and one P(1) atom. is represented by the CIF card [CIF]
data_LiSn4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.695
_cell_length_b   9.695
_cell_length_c   7.106
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   578.384
_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  0.667  0.333  0.537  1.0
  Li  Li1  1  0.333  0.667  0.037  1.0
  Sn  Sn2  1  0.259  0.242  0.247  1.0
  Sn  Sn3  1  0.741  0.758  0.747  1.0
  Sn  Sn4  1  0.333  0.667  0.471  1.0
  Sn  Sn5  1  0.017  0.259  0.747  1.0
  Sn  Sn6  1  0.667  0.333  0.971  1.0
  Sn  Sn7  1  0.242  0.983  0.747  1.0
  Sn  Sn8  1  0.983  0.741  0.247  1.0
  Sn  Sn9  1  0.758  0.017  0.247  1.0
  P  P10  1  0.385  0.402  0.751  1.0
  P  P11  1  0.983  0.385  0.251  1.0
  P  P12  1  0.615  0.598  0.251  1.0
  P  P13  1  0.598  0.983  0.751  1.0
  P  P14  1  0.017  0.615  0.751  1.0
  P  P15  1  0.402  0.017  0.251  1.0
  O  O16  1  0.508  0.674  0.236  1.0
  O  O17  1  0.344  0.072  0.425  1.0
  O  O18  1  0.272  0.357  0.577  1.0
  O  O19  1  0.656  0.928  0.925  1.0
  O  O20  1  0.728  0.643  0.077  1.0
  O  O21  1  0.510  0.411  0.262  1.0
  O  O22  1  0.928  0.272  0.425  1.0
  O  O23  1  0.086  0.728  0.577  1.0
  O  O24  1  0.914  0.272  0.077  1.0
  O  O25  1  0.166  0.492  0.236  1.0
  O  O26  1  0.326  0.834  0.236  1.0
  O  O27  1  0.589  0.098  0.262  1.0
  O  O28  1  0.902  0.490  0.262  1.0
  O  O29  1  0.072  0.728  0.925  1.0
  O  O30  1  0.728  0.656  0.425  1.0
  O  O31  1  0.834  0.508  0.736  1.0
  O  O32  1  0.357  0.086  0.077  1.0
  O  O33  1  0.490  0.589  0.762  1.0
  O  O34  1  0.674  0.166  0.736  1.0
  O  O35  1  0.098  0.510  0.762  1.0
  O  O36  1  0.492  0.326  0.736  1.0
  O  O37  1  0.643  0.914  0.577  1.0
  O  O38  1  0.411  0.902  0.762  1.0
  O  O39  1  0.272  0.344  0.925  1.0
[/CIF]
.
The material structure described by LiSn4(PO4)3 crystallizes in the hexagonal P6_3 space group. Li(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Sn(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Sn(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Sn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Sn(1) and one P(1) atom. is represented by the CIF card [CIF]
data_LiSn4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.695
_cell_length_b   9.695
_cell_length_c   7.106
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   578.384
_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  0.667  0.333  0.537  1.0
  Li  Li1  1  0.333  0.667  0.037  1.0
  Sn  Sn2  1  0.259  0.242  0.247  1.0
  Sn  Sn3  1  0.741  0.758  0.747  1.0
  Sn  Sn4  1  0.333  0.667  0.471  1.0
  Sn  Sn5  1  0.017  0.259  0.747  1.0
  Sn  Sn6  1  0.667  0.333  0.971  1.0
  Sn  Sn7  1  0.242  0.983  0.747  1.0
  Sn  Sn8  1  0.983  0.741  0.247  1.0
  Sn  Sn9  1  0.758  0.017  0.247  1.0
  P  P10  1  0.385  0.402  0.751  1.0
  P  P11  1  0.983  0.385  0.251  1.0
  P  P12  1  0.615  0.598  0.251  1.0
  P  P13  1  0.598  0.983  0.751  1.0
  P  P14  1  0.017  0.615  0.751  1.0
  P  P15  1  0.402  0.017  0.251  1.0
  O  O16  1  0.508  0.674  0.236  1.0
  O  O17  1  0.344  0.072  0.425  1.0
  O  O18  1  0.272  0.357  0.577  1.0
  O  O19  1  0.656  0.928  0.925  1.0
  O  O20  1  0.728  0.643  0.077  1.0
  O  O21  1  0.510  0.411  0.262  1.0
  O  O22  1  0.928  0.272  0.425  1.0
  O  O23  1  0.086  0.728  0.577  1.0
  O  O24  1  0.914  0.272  0.077  1.0
  O  O25  1  0.166  0.492  0.236  1.0
  O  O26  1  0.326  0.834  0.236  1.0
  O  O27  1  0.589  0.098  0.262  1.0
  O  O28  1  0.902  0.490  0.262  1.0
  O  O29  1  0.072  0.728  0.925  1.0
  O  O30  1  0.728  0.656  0.425  1.0
  O  O31  1  0.834  0.508  0.736  1.0
  O  O32  1  0.357  0.086  0.077  1.0
  O  O33  1  0.490  0.589  0.762  1.0
  O  O34  1  0.674  0.166  0.736  1.0
  O  O35  1  0.098  0.510  0.762  1.0
  O  O36  1  0.492  0.326  0.736  1.0
  O  O37  1  0.643  0.914  0.577  1.0
  O  O38  1  0.411  0.902  0.762  1.0
  O  O39  1  0.272  0.344  0.925  1.0
[/CIF]
.