The structure described by LiCu(PO3)2 crystallizes in the orthorhombic C222 space group. Li(1) is bonded to four equivalent O(1) atoms to form LiO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra and edges with two equivalent Cu(1)O4 tetrahedra. Cu(1) is bonded to four equivalent O(1) atoms to form distorted CuO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra and edges with two equivalent Li(1)O4 tetrahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Cu(1)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one P(1) atom. In the second O site, O(2) is bonded in a linear geometry to two equivalent P(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCu(PO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.342
_cell_length_b   5.342
_cell_length_c   5.648
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   123.293
_symmetry_Int_Tables_number   1
_cell_volume   134.701
_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
  Cu  Cu1  1  0.500  0.500  0.000  1.0
  P  P2  1  0.500  0.000  0.670  1.0
  P  P3  1  0.000  0.500  0.330  1.0
  O  O4  1  0.115  0.340  0.195  1.0
  O  O5  1  0.660  0.885  0.805  1.0
  O  O6  1  0.264  0.736  0.500  1.0
  O  O7  1  0.736  0.264  0.500  1.0
  O  O8  1  0.340  0.115  0.805  1.0
  O  O9  1  0.885  0.660  0.195  1.0
[/CIF]
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The structure described by LiCu(PO3)2 crystallizes in the orthorhombic C222 space group. Li(1) is bonded to four equivalent O(1) atoms to form LiO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra and edges with two equivalent Cu(1)O4 tetrahedra. Cu(1) is bonded to four equivalent O(1) atoms to form distorted CuO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra and edges with two equivalent Li(1)O4 tetrahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Cu(1)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one P(1) atom. In the second O site, O(2) is bonded in a linear geometry to two equivalent P(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCu(PO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.342
_cell_length_b   5.342
_cell_length_c   5.648
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   123.293
_symmetry_Int_Tables_number   1
_cell_volume   134.701
_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
  Cu  Cu1  1  0.500  0.500  0.000  1.0
  P  P2  1  0.500  0.000  0.670  1.0
  P  P3  1  0.000  0.500  0.330  1.0
  O  O4  1  0.115  0.340  0.195  1.0
  O  O5  1  0.660  0.885  0.805  1.0
  O  O6  1  0.264  0.736  0.500  1.0
  O  O7  1  0.736  0.264  0.500  1.0
  O  O8  1  0.340  0.115  0.805  1.0
  O  O9  1  0.885  0.660  0.195  1.0
[/CIF]
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