The compound described by Li4Cu(PO4)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), and three equivalent O(1) atoms. Cu(1) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(4) 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 5-coordinate geometry to one Li(1), three equivalent Li(2), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(2), two equivalent Li(1), and one P(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Cu(1), and one P(1) atom to form corner-sharing OLi2CuP trigonal pyramids. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Cu(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Li4Cu(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.679
_cell_length_b   5.453
_cell_length_c   6.141
_cell_angle_alpha   96.492
_cell_angle_beta   93.539
_cell_angle_gamma   103.874
_symmetry_Int_Tables_number   1
_cell_volume   150.489
_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  0.153  0.285  0.577  1.0
  Li  Li1  1  0.291  0.577  0.170  1.0
  Li  Li2  1  0.709  0.423  0.830  1.0
  Li  Li3  1  0.847  0.715  0.423  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  P  P5  1  0.385  0.788  0.719  1.0
  P  P6  1  0.615  0.212  0.281  1.0
  O  O7  1  0.239  0.574  0.854  1.0
  O  O8  1  0.268  0.700  0.476  1.0
  O  O9  1  0.271  0.181  0.262  1.0
  O  O10  1  0.316  0.048  0.802  1.0
  O  O11  1  0.684  0.952  0.198  1.0
  O  O12  1  0.729  0.819  0.738  1.0
  O  O13  1  0.732  0.300  0.524  1.0
  O  O14  1  0.761  0.426  0.146  1.0
[/CIF]
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The compound described by Li4Cu(PO4)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), and three equivalent O(1) atoms. Cu(1) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(4) 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 5-coordinate geometry to one Li(1), three equivalent Li(2), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(2), two equivalent Li(1), and one P(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Cu(1), and one P(1) atom to form corner-sharing OLi2CuP trigonal pyramids. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Cu(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Li4Cu(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.679
_cell_length_b   5.453
_cell_length_c   6.141
_cell_angle_alpha   96.492
_cell_angle_beta   93.539
_cell_angle_gamma   103.874
_symmetry_Int_Tables_number   1
_cell_volume   150.489
_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  0.153  0.285  0.577  1.0
  Li  Li1  1  0.291  0.577  0.170  1.0
  Li  Li2  1  0.709  0.423  0.830  1.0
  Li  Li3  1  0.847  0.715  0.423  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  P  P5  1  0.385  0.788  0.719  1.0
  P  P6  1  0.615  0.212  0.281  1.0
  O  O7  1  0.239  0.574  0.854  1.0
  O  O8  1  0.268  0.700  0.476  1.0
  O  O9  1  0.271  0.181  0.262  1.0
  O  O10  1  0.316  0.048  0.802  1.0
  O  O11  1  0.684  0.952  0.198  1.0
  O  O12  1  0.729  0.819  0.738  1.0
  O  O13  1  0.732  0.300  0.524  1.0
  O  O14  1  0.761  0.426  0.146  1.0
[/CIF]
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