The structure described by LiCoPO4 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded in a trigonal non-coplanar geometry to one O(4) and two equivalent O(2) atoms. Co(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form distorted CoO4 tetrahedra that share corners with two equivalent Co(1)O4 tetrahedra and 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 distorted trigonal planar geometry to two equivalent Co(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Co(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), 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   4.955
_cell_length_b   8.221
_cell_length_c   8.904
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   362.731
_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  0.920  0.056  0.607  1.0
  Li  Li1  1  0.420  0.444  0.107  1.0
  Li  Li2  1  0.920  0.556  0.893  1.0
  Li  Li3  1  0.420  0.944  0.393  1.0
  Co  Co4  1  0.030  0.148  0.027  1.0
  Co  Co5  1  0.530  0.352  0.527  1.0
  Co  Co6  1  0.030  0.648  0.473  1.0
  Co  Co7  1  0.530  0.852  0.973  1.0
  P  P8  1  0.563  0.236  0.860  1.0
  P  P9  1  0.063  0.264  0.360  1.0
  P  P10  1  0.563  0.736  0.640  1.0
  P  P11  1  0.063  0.764  0.140  1.0
  O  O12  1  0.673  0.079  0.944  1.0
  O  O13  1  0.185  0.120  0.449  1.0
  O  O14  1  0.252  0.240  0.861  1.0
  O  O15  1  0.668  0.225  0.696  1.0
  O  O16  1  0.168  0.275  0.196  1.0
  O  O17  1  0.752  0.260  0.361  1.0
  O  O18  1  0.685  0.380  0.949  1.0
  O  O19  1  0.173  0.421  0.444  1.0
  O  O20  1  0.673  0.579  0.556  1.0
  O  O21  1  0.185  0.620  0.051  1.0
  O  O22  1  0.252  0.740  0.639  1.0
  O  O23  1  0.668  0.725  0.804  1.0
  O  O24  1  0.168  0.775  0.304  1.0
  O  O25  1  0.752  0.760  0.139  1.0
  O  O26  1  0.685  0.880  0.551  1.0
  O  O27  1  0.173  0.921  0.056  1.0
[/CIF]
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The structure described by LiCoPO4 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded in a trigonal non-coplanar geometry to one O(4) and two equivalent O(2) atoms. Co(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form distorted CoO4 tetrahedra that share corners with two equivalent Co(1)O4 tetrahedra and 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 distorted trigonal planar geometry to two equivalent Co(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Co(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), 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   4.955
_cell_length_b   8.221
_cell_length_c   8.904
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   362.731
_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  0.920  0.056  0.607  1.0
  Li  Li1  1  0.420  0.444  0.107  1.0
  Li  Li2  1  0.920  0.556  0.893  1.0
  Li  Li3  1  0.420  0.944  0.393  1.0
  Co  Co4  1  0.030  0.148  0.027  1.0
  Co  Co5  1  0.530  0.352  0.527  1.0
  Co  Co6  1  0.030  0.648  0.473  1.0
  Co  Co7  1  0.530  0.852  0.973  1.0
  P  P8  1  0.563  0.236  0.860  1.0
  P  P9  1  0.063  0.264  0.360  1.0
  P  P10  1  0.563  0.736  0.640  1.0
  P  P11  1  0.063  0.764  0.140  1.0
  O  O12  1  0.673  0.079  0.944  1.0
  O  O13  1  0.185  0.120  0.449  1.0
  O  O14  1  0.252  0.240  0.861  1.0
  O  O15  1  0.668  0.225  0.696  1.0
  O  O16  1  0.168  0.275  0.196  1.0
  O  O17  1  0.752  0.260  0.361  1.0
  O  O18  1  0.685  0.380  0.949  1.0
  O  O19  1  0.173  0.421  0.444  1.0
  O  O20  1  0.673  0.579  0.556  1.0
  O  O21  1  0.185  0.620  0.051  1.0
  O  O22  1  0.252  0.740  0.639  1.0
  O  O23  1  0.668  0.725  0.804  1.0
  O  O24  1  0.168  0.775  0.304  1.0
  O  O25  1  0.752  0.760  0.139  1.0
  O  O26  1  0.685  0.880  0.551  1.0
  O  O27  1  0.173  0.921  0.056  1.0
[/CIF]
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