The material structure described by Li5SiP3 crystallizes in the monoclinic Cc space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one P(1), one P(3), and two equivalent P(2) atoms to form a mixture of distorted edge and corner-sharing LiP4 tetrahedra. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one Si(1), one P(2), one P(3), and two equivalent P(1) atoms. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one Si(1), one P(1), one P(2), and two equivalent P(3) atoms. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one Si(1), one P(1), one P(3), and two equivalent P(2) atoms. In the fifth Li site, Li(5) is bonded to one P(1), one P(2), and two equivalent P(3) atoms to form a mixture of edge and corner-sharing LiP4 tetrahedra. Si(1) is bonded in a distorted hexagonal planar geometry to one Li(2), one Li(3), one Li(4), one P(1), one P(2), and one P(3) atom. There are three inequivalent P sites. In the first P site, P(1) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), two equivalent Li(2), and one Si(1) atom to form distorted corner-sharing PLi6Si pentagonal bipyramids. In the second P site, P(2) is bonded in a body-centered cubic geometry to one Li(2), one Li(3), one Li(5), two equivalent Li(1), two equivalent Li(4), and one Si(1) atom. In the third P site, P(3) is bonded in a body-centered cubic geometry to one Li(1), one Li(2), one Li(4), two equivalent Li(3), two equivalent Li(5), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5SiP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.034
_cell_length_b   7.034
_cell_length_c   8.603
_cell_angle_alpha   72.378
_cell_angle_beta   72.378
_cell_angle_gamma   49.652
_symmetry_Int_Tables_number   1
_cell_volume   305.792
_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  0.395  0.916  0.421  1.0
  Li  Li1  1  0.786  0.217  0.272  1.0
  Li  Li2  1  0.086  0.564  0.078  1.0
  Li  Li3  1  0.443  0.911  0.909  1.0
  Li  Li4  1  0.916  0.395  0.921  1.0
  Li  Li5  1  0.081  0.598  0.582  1.0
  Li  Li6  1  0.217  0.786  0.772  1.0
  Li  Li7  1  0.564  0.086  0.578  1.0
  Li  Li8  1  0.911  0.443  0.409  1.0
  Li  Li9  1  0.598  0.081  0.082  1.0
  Si  Si10  1  0.674  0.327  0.694  1.0
  Si  Si11  1  0.327  0.674  0.194  1.0
  P  P12  1  0.039  0.961  0.040  1.0
  P  P13  1  0.670  0.645  0.672  1.0
  P  P14  1  0.961  0.039  0.540  1.0
  P  P15  1  0.333  0.355  0.325  1.0
  P  P16  1  0.645  0.670  0.172  1.0
  P  P17  1  0.355  0.333  0.825  1.0
[/CIF]
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The material structure described by Li5SiP3 crystallizes in the monoclinic Cc space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one P(1), one P(3), and two equivalent P(2) atoms to form a mixture of distorted edge and corner-sharing LiP4 tetrahedra. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one Si(1), one P(2), one P(3), and two equivalent P(1) atoms. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one Si(1), one P(1), one P(2), and two equivalent P(3) atoms. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one Si(1), one P(1), one P(3), and two equivalent P(2) atoms. In the fifth Li site, Li(5) is bonded to one P(1), one P(2), and two equivalent P(3) atoms to form a mixture of edge and corner-sharing LiP4 tetrahedra. Si(1) is bonded in a distorted hexagonal planar geometry to one Li(2), one Li(3), one Li(4), one P(1), one P(2), and one P(3) atom. There are three inequivalent P sites. In the first P site, P(1) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), two equivalent Li(2), and one Si(1) atom to form distorted corner-sharing PLi6Si pentagonal bipyramids. In the second P site, P(2) is bonded in a body-centered cubic geometry to one Li(2), one Li(3), one Li(5), two equivalent Li(1), two equivalent Li(4), and one Si(1) atom. In the third P site, P(3) is bonded in a body-centered cubic geometry to one Li(1), one Li(2), one Li(4), two equivalent Li(3), two equivalent Li(5), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5SiP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.034
_cell_length_b   7.034
_cell_length_c   8.603
_cell_angle_alpha   72.378
_cell_angle_beta   72.378
_cell_angle_gamma   49.652
_symmetry_Int_Tables_number   1
_cell_volume   305.792
_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  0.395  0.916  0.421  1.0
  Li  Li1  1  0.786  0.217  0.272  1.0
  Li  Li2  1  0.086  0.564  0.078  1.0
  Li  Li3  1  0.443  0.911  0.909  1.0
  Li  Li4  1  0.916  0.395  0.921  1.0
  Li  Li5  1  0.081  0.598  0.582  1.0
  Li  Li6  1  0.217  0.786  0.772  1.0
  Li  Li7  1  0.564  0.086  0.578  1.0
  Li  Li8  1  0.911  0.443  0.409  1.0
  Li  Li9  1  0.598  0.081  0.082  1.0
  Si  Si10  1  0.674  0.327  0.694  1.0
  Si  Si11  1  0.327  0.674  0.194  1.0
  P  P12  1  0.039  0.961  0.040  1.0
  P  P13  1  0.670  0.645  0.672  1.0
  P  P14  1  0.961  0.039  0.540  1.0
  P  P15  1  0.333  0.355  0.325  1.0
  P  P16  1  0.645  0.670  0.172  1.0
  P  P17  1  0.355  0.333  0.825  1.0
[/CIF]
.