The crystal structure described by LiCoPO4 crystallizes in the tetragonal I-4 space group. Li(1) is bonded to four equivalent O(1) atoms to form LiO4 tetrahedra that share corners with four equivalent Co(1)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. Co(1) is bonded to four equivalent O(1) atoms to form CoO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra and corners with four equivalent Co(1)O4 tetrahedra. O(1) is bonded in a trigonal planar geometry to one Li(1), one Co(1), and one P(1) atom. is represented by the CIF card [CIF]
data_LiCoPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.829
_cell_length_b   5.052
_cell_length_c   4.829
_cell_angle_alpha   61.450
_cell_angle_beta   90.000
_cell_angle_gamma   118.550
_symmetry_Int_Tables_number   1
_cell_volume   86.805
_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
  Co  Co0  1  0.000  0.000  0.000  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  O  O2  1  0.441  0.263  0.054  1.0
  O  O3  1  0.684  0.737  0.441  1.0
  O  O4  1  0.822  0.263  0.684  1.0
  O  O5  1  0.054  0.737  0.822  1.0
  P  P6  1  0.750  0.500  0.750  1.0
[/CIF]
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The crystal structure described by LiCoPO4 crystallizes in the tetragonal I-4 space group. Li(1) is bonded to four equivalent O(1) atoms to form LiO4 tetrahedra that share corners with four equivalent Co(1)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. Co(1) is bonded to four equivalent O(1) atoms to form CoO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra and corners with four equivalent Co(1)O4 tetrahedra. O(1) is bonded in a trigonal planar geometry to one Li(1), one Co(1), and one P(1) atom. is represented by the CIF card [CIF]
data_LiCoPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.829
_cell_length_b   5.052
_cell_length_c   4.829
_cell_angle_alpha   61.450
_cell_angle_beta   90.000
_cell_angle_gamma   118.550
_symmetry_Int_Tables_number   1
_cell_volume   86.805
_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
  Co  Co0  1  0.000  0.000  0.000  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  O  O2  1  0.441  0.263  0.054  1.0
  O  O3  1  0.684  0.737  0.441  1.0
  O  O4  1  0.822  0.263  0.684  1.0
  O  O5  1  0.054  0.737  0.822  1.0
  P  P6  1  0.750  0.500  0.750  1.0
[/CIF]
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