The compound described by LiCu(PO3)4 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(10), one O(11), one O(12), one O(3), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. Cu(1) is bonded in a square co-planar geometry to one O(10), one O(2), one O(7), and one O(9) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(4), one O(5), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(1), one O(12), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. In the third P site, P(3) is bonded to one O(10), one O(11), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. In the fourth P site, P(4) is bonded to one O(1), one O(2), one O(3), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one P(2) and one P(4) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(4) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Li(1) and one P(4) atom. In the fourth O site, O(4) is bonded in a linear geometry to one P(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one P(3) and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCu(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.998
_cell_length_b   7.005
_cell_length_c   7.631
_cell_angle_alpha   109.288
_cell_angle_beta   98.930
_cell_angle_gamma   108.327
_symmetry_Int_Tables_number   1
_cell_volume   229.149
_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  0.273  0.252  0.448  1.0
  Cu  Cu1  1  0.996  0.998  0.997  1.0
  P  P2  1  0.360  0.801  0.208  1.0
  P  P3  1  0.155  0.594  0.788  1.0
  P  P4  1  0.839  0.404  0.213  1.0
  P  P5  1  0.640  0.198  0.792  1.0
  O  O6  1  0.908  0.377  0.774  1.0
  O  O7  1  0.736  0.014  0.806  1.0
  O  O8  1  0.365  0.128  0.640  1.0
  O  O9  1  0.094  0.623  0.233  1.0
  O  O10  1  0.388  0.671  0.997  1.0
  O  O11  1  0.644  0.891  0.357  1.0
  O  O12  1  0.032  0.772  0.802  1.0
  O  O13  1  0.610  0.328  0.004  1.0
  O  O14  1  0.250  0.981  0.193  1.0
  O  O15  1  0.974  0.229  0.197  1.0
  O  O16  1  0.690  0.442  0.366  1.0
  O  O17  1  0.292  0.535  0.630  1.0
[/CIF]
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The compound described by LiCu(PO3)4 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(10), one O(11), one O(12), one O(3), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. Cu(1) is bonded in a square co-planar geometry to one O(10), one O(2), one O(7), and one O(9) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(4), one O(5), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(1), one O(12), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. In the third P site, P(3) is bonded to one O(10), one O(11), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. In the fourth P site, P(4) is bonded to one O(1), one O(2), one O(3), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one P(2) and one P(4) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(4) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Li(1) and one P(4) atom. In the fourth O site, O(4) is bonded in a linear geometry to one P(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one P(3) and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCu(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.998
_cell_length_b   7.005
_cell_length_c   7.631
_cell_angle_alpha   109.288
_cell_angle_beta   98.930
_cell_angle_gamma   108.327
_symmetry_Int_Tables_number   1
_cell_volume   229.149
_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  0.273  0.252  0.448  1.0
  Cu  Cu1  1  0.996  0.998  0.997  1.0
  P  P2  1  0.360  0.801  0.208  1.0
  P  P3  1  0.155  0.594  0.788  1.0
  P  P4  1  0.839  0.404  0.213  1.0
  P  P5  1  0.640  0.198  0.792  1.0
  O  O6  1  0.908  0.377  0.774  1.0
  O  O7  1  0.736  0.014  0.806  1.0
  O  O8  1  0.365  0.128  0.640  1.0
  O  O9  1  0.094  0.623  0.233  1.0
  O  O10  1  0.388  0.671  0.997  1.0
  O  O11  1  0.644  0.891  0.357  1.0
  O  O12  1  0.032  0.772  0.802  1.0
  O  O13  1  0.610  0.328  0.004  1.0
  O  O14  1  0.250  0.981  0.193  1.0
  O  O15  1  0.974  0.229  0.197  1.0
  O  O16  1  0.690  0.442  0.366  1.0
  O  O17  1  0.292  0.535  0.630  1.0
[/CIF]
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