The material described by Li5(Cu2P3)2 crystallizes in the orthorhombic Immm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent Cu(1) and eight equivalent P(1) atoms to form distorted face-sharing LiCu4P8 cuboctahedra. In the second Li site, Li(2) is bonded in a 12-coordinate geometry to six equivalent Cu(1), two equivalent P(2), and four equivalent P(1) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to four equivalent Cu(1), two equivalent P(1), and four equivalent P(2) atoms. Cu(1) is bonded in a 12-coordinate geometry to one Li(1), two equivalent Li(3), three equivalent Li(2), two equivalent Cu(1), one P(2), and three equivalent P(1) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Li(3), two equivalent Li(1), two equivalent Li(2), three equivalent Cu(1), and one P(1) atom. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Li(2), four equivalent Li(3), two equivalent Cu(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Li5(Cu2P3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.837
_cell_length_b   7.886
_cell_length_c   7.886
_cell_angle_alpha   106.172
_cell_angle_beta   104.079
_cell_angle_gamma   104.079
_symmetry_Int_Tables_number   1
_cell_volume   209.490
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.721  0.279  1.0
  Li  Li2  1  0.825  0.325  0.325  1.0
  Li  Li3  1  0.175  0.675  0.675  1.0
  Li  Li4  1  0.000  0.279  0.721  1.0
  Cu  Cu5  1  0.268  0.441  0.094  1.0
  Cu  Cu6  1  0.268  0.094  0.441  1.0
  Cu  Cu7  1  0.732  0.906  0.559  1.0
  Cu  Cu8  1  0.732  0.559  0.906  1.0
  P  P9  1  0.376  0.726  0.025  1.0
  P  P10  1  0.624  0.975  0.274  1.0
  P  P11  1  0.500  0.585  0.415  1.0
  P  P12  1  0.500  0.415  0.585  1.0
  P  P13  1  0.376  0.025  0.726  1.0
  P  P14  1  0.624  0.274  0.975  1.0
[/CIF]
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The material described by Li5(Cu2P3)2 crystallizes in the orthorhombic Immm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent Cu(1) and eight equivalent P(1) atoms to form distorted face-sharing LiCu4P8 cuboctahedra. In the second Li site, Li(2) is bonded in a 12-coordinate geometry to six equivalent Cu(1), two equivalent P(2), and four equivalent P(1) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to four equivalent Cu(1), two equivalent P(1), and four equivalent P(2) atoms. Cu(1) is bonded in a 12-coordinate geometry to one Li(1), two equivalent Li(3), three equivalent Li(2), two equivalent Cu(1), one P(2), and three equivalent P(1) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Li(3), two equivalent Li(1), two equivalent Li(2), three equivalent Cu(1), and one P(1) atom. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Li(2), four equivalent Li(3), two equivalent Cu(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Li5(Cu2P3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.837
_cell_length_b   7.886
_cell_length_c   7.886
_cell_angle_alpha   106.172
_cell_angle_beta   104.079
_cell_angle_gamma   104.079
_symmetry_Int_Tables_number   1
_cell_volume   209.490
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.721  0.279  1.0
  Li  Li2  1  0.825  0.325  0.325  1.0
  Li  Li3  1  0.175  0.675  0.675  1.0
  Li  Li4  1  0.000  0.279  0.721  1.0
  Cu  Cu5  1  0.268  0.441  0.094  1.0
  Cu  Cu6  1  0.268  0.094  0.441  1.0
  Cu  Cu7  1  0.732  0.906  0.559  1.0
  Cu  Cu8  1  0.732  0.559  0.906  1.0
  P  P9  1  0.376  0.726  0.025  1.0
  P  P10  1  0.624  0.975  0.274  1.0
  P  P11  1  0.500  0.585  0.415  1.0
  P  P12  1  0.500  0.415  0.585  1.0
  P  P13  1  0.376  0.025  0.726  1.0
  P  P14  1  0.624  0.274  0.975  1.0
[/CIF]
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