The material described by LiCoPO4 crystallizes in the triclinic P1 space group. Li(1,2) is bonded in a trigonal planar geometry to one O(5), one O(7), and one O(8) atom. Co(1,2) is bonded to one O(1), one O(5), one O(7), and one O(8) atom to form CoO4 tetrahedra that share corners with four equivalent P(1,2)O4 tetrahedra. P(1,2) is bonded to one O(1); one O(6); and two equivalent O(3,4) atoms to form PO4 tetrahedra that share corners with four equivalent Co(1,2)O4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Co(1,2) and one P(1,2) atom. In the second O site, O(2) is bonded in a linear geometry to one Co(1,2) and one P(1,2) atom. In the third O site, O(3,4) is bonded in a trigonal planar geometry to one Li(1,2); one Co(1,2); and one P(1,2) atom. In the fourth O site, O(5) is bonded in a trigonal planar geometry to one Li(1,2); one Co(1,2); and one P(1,2) atom. In the fifth O site, O(6) is bonded in a trigonal planar geometry to one Li(1,2); one Co(1,2); and one P(1,2) atom. In the sixth O site, O(7) is bonded in a trigonal planar geometry to one Li(1,2); one Co(1,2); and one P(1,2) atom. In the seventh O site, O(8) is bonded in a trigonal planar geometry to one Li(1,2); one Co(1,2); and one P(1,2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCoPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.169
_cell_length_b   5.169
_cell_length_c   9.409
_cell_angle_alpha   89.972
_cell_angle_beta   89.950
_cell_angle_gamma   119.997
_symmetry_Int_Tables_number   1
_cell_volume   217.731
_cell_formula_units_Z   2
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  0.667  0.333  0.125  1.0
  Co  Co1  1  0.334  0.667  0.626  1.0
  Li  Li2  1  1.000  1.000  0.230  1.0
  Li  Li3  1  1.000  0.000  0.730  1.0
  O  O4  1  0.668  0.333  0.922  1.0
  O  O5  1  0.334  0.666  0.422  1.0
  O  O6  1  0.384  0.336  0.704  1.0
  O  O7  1  0.951  0.616  0.703  1.0
  O  O8  1  0.335  0.951  0.204  1.0
  O  O9  1  0.665  0.049  0.703  1.0
  O  O10  1  0.048  0.384  0.204  1.0
  O  O11  1  0.616  0.665  0.203  1.0
  P  P12  1  0.667  0.334  0.760  1.0
  P  P13  1  0.333  0.666  0.261  1.0
[/CIF]
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The material described by LiCoPO4 crystallizes in the triclinic P1 space group. Li(1,2) is bonded in a trigonal planar geometry to one O(5), one O(7), and one O(8) atom. Co(1,2) is bonded to one O(1), one O(5), one O(7), and one O(8) atom to form CoO4 tetrahedra that share corners with four equivalent P(1,2)O4 tetrahedra. P(1,2) is bonded to one O(1); one O(6); and two equivalent O(3,4) atoms to form PO4 tetrahedra that share corners with four equivalent Co(1,2)O4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Co(1,2) and one P(1,2) atom. In the second O site, O(2) is bonded in a linear geometry to one Co(1,2) and one P(1,2) atom. In the third O site, O(3,4) is bonded in a trigonal planar geometry to one Li(1,2); one Co(1,2); and one P(1,2) atom. In the fourth O site, O(5) is bonded in a trigonal planar geometry to one Li(1,2); one Co(1,2); and one P(1,2) atom. In the fifth O site, O(6) is bonded in a trigonal planar geometry to one Li(1,2); one Co(1,2); and one P(1,2) atom. In the sixth O site, O(7) is bonded in a trigonal planar geometry to one Li(1,2); one Co(1,2); and one P(1,2) atom. In the seventh O site, O(8) is bonded in a trigonal planar geometry to one Li(1,2); one Co(1,2); and one P(1,2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCoPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.169
_cell_length_b   5.169
_cell_length_c   9.409
_cell_angle_alpha   89.972
_cell_angle_beta   89.950
_cell_angle_gamma   119.997
_symmetry_Int_Tables_number   1
_cell_volume   217.731
_cell_formula_units_Z   2
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  0.667  0.333  0.125  1.0
  Co  Co1  1  0.334  0.667  0.626  1.0
  Li  Li2  1  1.000  1.000  0.230  1.0
  Li  Li3  1  1.000  0.000  0.730  1.0
  O  O4  1  0.668  0.333  0.922  1.0
  O  O5  1  0.334  0.666  0.422  1.0
  O  O6  1  0.384  0.336  0.704  1.0
  O  O7  1  0.951  0.616  0.703  1.0
  O  O8  1  0.335  0.951  0.204  1.0
  O  O9  1  0.665  0.049  0.703  1.0
  O  O10  1  0.048  0.384  0.204  1.0
  O  O11  1  0.616  0.665  0.203  1.0
  P  P12  1  0.667  0.334  0.760  1.0
  P  P13  1  0.333  0.666  0.261  1.0
[/CIF]
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