The material described by LiCoPO4 crystallizes in the orthorhombic Pbcn space group. Li(1) is bonded to four equivalent O(1) atoms to form LiO4 tetrahedra that share corners with four equivalent Co(1)O6 octahedra, corners with four equivalent Li(1)O4 tetrahedra, and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 74-77°. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted CoO6 octahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with six equivalent P(1)O4 tetrahedra, and edges with two equivalent Co(1)O6 octahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-73°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Co(1), and one P(1) atom to form distorted corner-sharing OLi2CoP tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent 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   4.293
_cell_length_b   14.627
_cell_length_c   4.766
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   299.283
_cell_formula_units_Z   4
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  1.000  0.249  0.750  1.0
  Li  Li1  1  0.000  0.751  0.250  1.0
  Li  Li2  1  0.500  0.251  0.250  1.0
  Li  Li3  1  0.500  0.749  0.750  1.0
  Co  Co4  1  1.000  0.063  0.250  1.0
  Co  Co5  1  0.000  0.937  0.750  1.0
  Co  Co6  1  0.500  0.563  0.250  1.0
  Co  Co7  1  0.500  0.437  0.750  1.0
  P  P8  1  1.000  0.387  0.250  1.0
  P  P9  1  0.000  0.613  0.750  1.0
  P  P10  1  0.500  0.113  0.750  1.0
  P  P11  1  0.500  0.887  0.250  1.0
  O  O12  1  0.187  0.328  0.464  1.0
  O  O13  1  0.187  0.672  0.964  1.0
  O  O14  1  0.264  0.052  0.586  1.0
  O  O15  1  0.264  0.948  0.086  1.0
  O  O16  1  0.236  0.448  0.086  1.0
  O  O17  1  0.236  0.552  0.586  1.0
  O  O18  1  0.313  0.172  0.964  1.0
  O  O19  1  0.313  0.828  0.464  1.0
  O  O20  1  0.687  0.172  0.536  1.0
  O  O21  1  0.687  0.828  0.036  1.0
  O  O22  1  0.764  0.552  0.914  1.0
  O  O23  1  0.764  0.448  0.414  1.0
  O  O24  1  0.736  0.052  0.914  1.0
  O  O25  1  0.736  0.948  0.414  1.0
  O  O26  1  0.813  0.328  0.036  1.0
  O  O27  1  0.813  0.672  0.536  1.0
[/CIF]
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The material described by LiCoPO4 crystallizes in the orthorhombic Pbcn space group. Li(1) is bonded to four equivalent O(1) atoms to form LiO4 tetrahedra that share corners with four equivalent Co(1)O6 octahedra, corners with four equivalent Li(1)O4 tetrahedra, and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 74-77°. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted CoO6 octahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with six equivalent P(1)O4 tetrahedra, and edges with two equivalent Co(1)O6 octahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-73°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Co(1), and one P(1) atom to form distorted corner-sharing OLi2CoP tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent 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   4.293
_cell_length_b   14.627
_cell_length_c   4.766
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   299.283
_cell_formula_units_Z   4
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  1.000  0.249  0.750  1.0
  Li  Li1  1  0.000  0.751  0.250  1.0
  Li  Li2  1  0.500  0.251  0.250  1.0
  Li  Li3  1  0.500  0.749  0.750  1.0
  Co  Co4  1  1.000  0.063  0.250  1.0
  Co  Co5  1  0.000  0.937  0.750  1.0
  Co  Co6  1  0.500  0.563  0.250  1.0
  Co  Co7  1  0.500  0.437  0.750  1.0
  P  P8  1  1.000  0.387  0.250  1.0
  P  P9  1  0.000  0.613  0.750  1.0
  P  P10  1  0.500  0.113  0.750  1.0
  P  P11  1  0.500  0.887  0.250  1.0
  O  O12  1  0.187  0.328  0.464  1.0
  O  O13  1  0.187  0.672  0.964  1.0
  O  O14  1  0.264  0.052  0.586  1.0
  O  O15  1  0.264  0.948  0.086  1.0
  O  O16  1  0.236  0.448  0.086  1.0
  O  O17  1  0.236  0.552  0.586  1.0
  O  O18  1  0.313  0.172  0.964  1.0
  O  O19  1  0.313  0.828  0.464  1.0
  O  O20  1  0.687  0.172  0.536  1.0
  O  O21  1  0.687  0.828  0.036  1.0
  O  O22  1  0.764  0.552  0.914  1.0
  O  O23  1  0.764  0.448  0.414  1.0
  O  O24  1  0.736  0.052  0.914  1.0
  O  O25  1  0.736  0.948  0.414  1.0
  O  O26  1  0.813  0.328  0.036  1.0
  O  O27  1  0.813  0.672  0.536  1.0
[/CIF]
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