The material described by LiCo2(PO4)2 crystallizes in the monoclinic Pc space group. Li(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form CoO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(2), one O(5), one O(6), and one O(8) atom to form CoO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, and corners with two equivalent Co(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, and corners with two equivalent Co(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Co(1) and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Co(2), and one P(2) 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 trigonal planar geometry to one Li(1), one Co(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Co(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one Co(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Co(2) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCo2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.119
_cell_length_b   8.568
_cell_length_c   10.116
_cell_angle_alpha   54.544
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   361.398
_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  0.436  0.498  0.504  1.0
  Li  Li1  1  0.564  0.498  0.004  1.0
  Co  Co2  1  0.044  0.499  0.251  1.0
  Co  Co3  1  0.448  1.000  0.753  1.0
  Co  Co4  1  0.552  1.000  0.253  1.0
  Co  Co5  1  0.956  0.499  0.751  1.0
  P  P6  1  0.540  0.748  0.127  1.0
  P  P7  1  0.950  0.250  0.626  1.0
  P  P8  1  0.050  0.250  0.126  1.0
  P  P9  1  0.460  0.748  0.627  1.0
  O  O10  1  0.836  0.709  0.174  1.0
  O  O11  1  0.651  0.248  0.652  1.0
  O  O12  1  0.388  0.569  0.273  1.0
  O  O13  1  0.933  0.431  0.110  1.0
  O  O14  1  0.084  0.066  0.760  1.0
  O  O15  1  0.490  0.750  0.974  1.0
  O  O16  1  0.014  0.283  0.459  1.0
  O  O17  1  0.916  0.066  0.260  1.0
  O  O18  1  0.540  0.934  0.602  1.0
  O  O19  1  0.349  0.248  0.152  1.0
  O  O20  1  0.612  0.569  0.773  1.0
  O  O21  1  0.986  0.283  0.959  1.0
  O  O22  1  0.510  0.750  0.474  1.0
  O  O23  1  0.164  0.709  0.674  1.0
  O  O24  1  0.460  0.934  0.102  1.0
  O  O25  1  0.067  0.431  0.610  1.0
[/CIF]
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The material described by LiCo2(PO4)2 crystallizes in the monoclinic Pc space group. Li(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form CoO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(2), one O(5), one O(6), and one O(8) atom to form CoO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, and corners with two equivalent Co(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, and corners with two equivalent Co(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Co(1) and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Co(2), and one P(2) 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 trigonal planar geometry to one Li(1), one Co(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Co(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one Co(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Co(2) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCo2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.119
_cell_length_b   8.568
_cell_length_c   10.116
_cell_angle_alpha   54.544
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   361.398
_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  0.436  0.498  0.504  1.0
  Li  Li1  1  0.564  0.498  0.004  1.0
  Co  Co2  1  0.044  0.499  0.251  1.0
  Co  Co3  1  0.448  1.000  0.753  1.0
  Co  Co4  1  0.552  1.000  0.253  1.0
  Co  Co5  1  0.956  0.499  0.751  1.0
  P  P6  1  0.540  0.748  0.127  1.0
  P  P7  1  0.950  0.250  0.626  1.0
  P  P8  1  0.050  0.250  0.126  1.0
  P  P9  1  0.460  0.748  0.627  1.0
  O  O10  1  0.836  0.709  0.174  1.0
  O  O11  1  0.651  0.248  0.652  1.0
  O  O12  1  0.388  0.569  0.273  1.0
  O  O13  1  0.933  0.431  0.110  1.0
  O  O14  1  0.084  0.066  0.760  1.0
  O  O15  1  0.490  0.750  0.974  1.0
  O  O16  1  0.014  0.283  0.459  1.0
  O  O17  1  0.916  0.066  0.260  1.0
  O  O18  1  0.540  0.934  0.602  1.0
  O  O19  1  0.349  0.248  0.152  1.0
  O  O20  1  0.612  0.569  0.773  1.0
  O  O21  1  0.986  0.283  0.959  1.0
  O  O22  1  0.510  0.750  0.474  1.0
  O  O23  1  0.164  0.709  0.674  1.0
  O  O24  1  0.460  0.934  0.102  1.0
  O  O25  1  0.067  0.431  0.610  1.0
[/CIF]
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