The compound described by LiP5 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded in a 3-coordinate geometry to one P(1), one P(3), one P(4), and two equivalent P(5) atoms. There are five inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to one Li(1), one P(2), one P(3), and one P(4) atom. In the second P site, P(2) is bonded in a 3-coordinate geometry to one P(1), one P(3), and one P(4) atom. In the third P site, P(3) is bonded to one Li(1), one P(1), one P(2), and one P(5) atom to form distorted PLiP3 trigonal pyramids that share corners with two equivalent P(5)Li2P2 trigonal pyramids and corners with four equivalent P(4)LiP3 trigonal pyramids. In the fourth P site, P(4) is bonded to one Li(1), one P(1), one P(2), and one P(5) atom to form distorted PLiP3 trigonal pyramids that share corners with two equivalent P(5)Li2P2 trigonal pyramids and corners with four equivalent P(3)LiP3 trigonal pyramids. In the fifth P site, P(5) is bonded to two equivalent Li(1), one P(3), and one P(4) atom to form distorted PLi2P2 trigonal pyramids that share corners with two equivalent P(5)Li2P2 trigonal pyramids, corners with two equivalent P(3)LiP3 trigonal pyramids, and corners with two equivalent P(4)LiP3 trigonal pyramids. is represented by the CIF file [CIF]
data_LiP5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.574
_cell_length_b   6.669
_cell_length_c   10.493
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   460.020
_cell_formula_units_Z   4
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  0.056  0.456  0.078  1.0
  Li  Li1  1  0.556  0.544  0.922  1.0
  Li  Li2  1  0.056  0.044  0.578  1.0
  Li  Li3  1  0.556  0.956  0.422  1.0
  P  P4  1  0.426  0.917  0.085  1.0
  P  P5  1  0.926  0.083  0.915  1.0
  P  P6  1  0.426  0.583  0.585  1.0
  P  P7  1  0.926  0.417  0.415  1.0
  P  P8  1  0.909  0.904  0.093  1.0
  P  P9  1  0.409  0.096  0.907  1.0
  P  P10  1  0.909  0.596  0.593  1.0
  P  P11  1  0.409  0.404  0.407  1.0
  P  P12  1  0.167  0.922  0.808  1.0
  P  P13  1  0.667  0.078  0.192  1.0
  P  P14  1  0.167  0.578  0.308  1.0
  P  P15  1  0.667  0.422  0.692  1.0
  P  P16  1  0.167  0.447  0.691  1.0
  P  P17  1  0.667  0.553  0.309  1.0
  P  P18  1  0.167  0.053  0.191  1.0
  P  P19  1  0.667  0.947  0.809  1.0
  P  P20  1  0.183  0.611  0.869  1.0
  P  P21  1  0.683  0.389  0.131  1.0
  P  P22  1  0.183  0.889  0.369  1.0
  P  P23  1  0.683  0.111  0.631  1.0
[/CIF]
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The compound described by LiP5 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded in a 3-coordinate geometry to one P(1), one P(3), one P(4), and two equivalent P(5) atoms. There are five inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to one Li(1), one P(2), one P(3), and one P(4) atom. In the second P site, P(2) is bonded in a 3-coordinate geometry to one P(1), one P(3), and one P(4) atom. In the third P site, P(3) is bonded to one Li(1), one P(1), one P(2), and one P(5) atom to form distorted PLiP3 trigonal pyramids that share corners with two equivalent P(5)Li2P2 trigonal pyramids and corners with four equivalent P(4)LiP3 trigonal pyramids. In the fourth P site, P(4) is bonded to one Li(1), one P(1), one P(2), and one P(5) atom to form distorted PLiP3 trigonal pyramids that share corners with two equivalent P(5)Li2P2 trigonal pyramids and corners with four equivalent P(3)LiP3 trigonal pyramids. In the fifth P site, P(5) is bonded to two equivalent Li(1), one P(3), and one P(4) atom to form distorted PLi2P2 trigonal pyramids that share corners with two equivalent P(5)Li2P2 trigonal pyramids, corners with two equivalent P(3)LiP3 trigonal pyramids, and corners with two equivalent P(4)LiP3 trigonal pyramids. is represented by the CIF file [CIF]
data_LiP5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.574
_cell_length_b   6.669
_cell_length_c   10.493
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   460.020
_cell_formula_units_Z   4
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  0.056  0.456  0.078  1.0
  Li  Li1  1  0.556  0.544  0.922  1.0
  Li  Li2  1  0.056  0.044  0.578  1.0
  Li  Li3  1  0.556  0.956  0.422  1.0
  P  P4  1  0.426  0.917  0.085  1.0
  P  P5  1  0.926  0.083  0.915  1.0
  P  P6  1  0.426  0.583  0.585  1.0
  P  P7  1  0.926  0.417  0.415  1.0
  P  P8  1  0.909  0.904  0.093  1.0
  P  P9  1  0.409  0.096  0.907  1.0
  P  P10  1  0.909  0.596  0.593  1.0
  P  P11  1  0.409  0.404  0.407  1.0
  P  P12  1  0.167  0.922  0.808  1.0
  P  P13  1  0.667  0.078  0.192  1.0
  P  P14  1  0.167  0.578  0.308  1.0
  P  P15  1  0.667  0.422  0.692  1.0
  P  P16  1  0.167  0.447  0.691  1.0
  P  P17  1  0.667  0.553  0.309  1.0
  P  P18  1  0.167  0.053  0.191  1.0
  P  P19  1  0.667  0.947  0.809  1.0
  P  P20  1  0.183  0.611  0.869  1.0
  P  P21  1  0.683  0.389  0.131  1.0
  P  P22  1  0.183  0.889  0.369  1.0
  P  P23  1  0.683  0.111  0.631  1.0
[/CIF]
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