The compound described by LiCoPO4 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Co(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form CoO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Co(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Co(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one P(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Co(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCoPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.164
_cell_length_b   5.371
_cell_length_c   8.656
_cell_angle_alpha   89.997
_cell_angle_beta   90.006
_cell_angle_gamma   118.732
_symmetry_Int_Tables_number   1
_cell_volume   210.517
_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
  Li  Li0  1  0.131  0.350  0.008  1.0
  Li  Li1  1  0.781  0.650  0.508  1.0
  Co  Co2  1  0.297  0.667  0.318  1.0
  Co  Co3  1  0.630  0.333  0.818  1.0
  P  P4  1  0.292  0.652  0.694  1.0
  P  P5  1  0.640  0.348  0.194  1.0
  O  O6  1  0.967  0.595  0.683  1.0
  O  O7  1  0.394  0.603  0.532  1.0
  O  O8  1  0.305  0.434  0.809  1.0
  O  O9  1  0.500  0.954  0.747  1.0
  O  O10  1  0.372  0.405  0.183  1.0
  O  O11  1  0.791  0.397  0.032  1.0
  O  O12  1  0.871  0.566  0.309  1.0
  O  O13  1  0.546  0.046  0.247  1.0
[/CIF]
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The compound described by LiCoPO4 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Co(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form CoO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Co(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Co(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one P(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Co(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCoPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.164
_cell_length_b   5.371
_cell_length_c   8.656
_cell_angle_alpha   89.997
_cell_angle_beta   90.006
_cell_angle_gamma   118.732
_symmetry_Int_Tables_number   1
_cell_volume   210.517
_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
  Li  Li0  1  0.131  0.350  0.008  1.0
  Li  Li1  1  0.781  0.650  0.508  1.0
  Co  Co2  1  0.297  0.667  0.318  1.0
  Co  Co3  1  0.630  0.333  0.818  1.0
  P  P4  1  0.292  0.652  0.694  1.0
  P  P5  1  0.640  0.348  0.194  1.0
  O  O6  1  0.967  0.595  0.683  1.0
  O  O7  1  0.394  0.603  0.532  1.0
  O  O8  1  0.305  0.434  0.809  1.0
  O  O9  1  0.500  0.954  0.747  1.0
  O  O10  1  0.372  0.405  0.183  1.0
  O  O11  1  0.791  0.397  0.032  1.0
  O  O12  1  0.871  0.566  0.309  1.0
  O  O13  1  0.546  0.046  0.247  1.0
[/CIF]
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