The compound described by LiCo(SO4)2 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra,  a cornercorner with one S(5)O4 tetrahedra,  a cornercorner with one S(6)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  a cornercorner with one Li(3)O4 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(11), one O(15), one O(5), and one O(7) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-73°. In the third Li site, Li(3) is bonded to one O(13), one O(20), one O(3), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(6)O4 tetrahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-72°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(12), one O(15), one O(20), one O(3), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra,  a cornercorner with one S(5)O4 tetrahedra,  a cornercorner with one S(6)O4 tetrahedra,  an edgeedge with one Li(2)O4 trigonal pyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the second Co site, Co(2) is bonded to one O(16), one O(18), one O(19), one O(21), one O(23), and one O(24) atom to form CoO6 octahedra that share  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra,  a cornercorner with one S(5)O4 tetrahedra, and  a cornercorner with one S(6)O4 tetrahedra. In the third Co site, Co(3) is bonded to one O(10), one O(13), one O(14), one O(17), one O(22), and one O(5) atom to form CoO6 octahedra that share  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra,  a cornercorner with one S(5)O4 tetrahedra,  a cornercorner with one S(6)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  a cornercorner with one Li(3)O4 trigonal pyramid. There are six inequivalent S sites. In the first S site, S(1) is bonded to one O(24), one O(3), one O(5), and one O(6) atom to form SO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  a cornercorner with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 25-44°. In the second S site, S(2) is bonded to one O(13), one O(21), one O(7), and one O(8) atom to form SO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  a cornercorner with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 30-47°. In the third S site, S(3) is bonded to one O(14), one O(15), one O(23), and one O(9) atom to form SO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  a cornercorner with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 26-49°. In the fourth S site, S(4) is bonded to one O(10), one O(11), one O(16), and one O(2) atom to form SO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 22-42°. In the fifth S site, S(5) is bonded to one O(12), one O(17), one O(18), and one O(4) atom to form SO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-45°. In the sixth S site, S(6) is bonded to one O(1), one O(19), one O(20), and one O(22) atom to form SO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 25-46°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Li(1) and one S(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Li(1) and one S(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Li(1) and one S(5) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(3), and one S(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one S(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one S(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Co(1) and one S(2) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one S(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Co(3) and one S(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Co(1), and one S(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one S(5) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(3), and one S(2) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Co(3) and one S(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(2), one Co(1), and one S(3) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Co(2) and one S(4) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Co(3) and one S(5) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one Co(2) and one S(5) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one S(6) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Co(1), and one S(6) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Co(2) and one S(2) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Co(3) and one S(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Co(2) and one S(3) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Co(2) and one S(1) atom. is represented by the CIF file [CIF]
data_LiCo(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.323
_cell_length_b   8.349
_cell_length_c   8.931
_cell_angle_alpha   62.374
_cell_angle_beta   62.626
_cell_angle_gamma   60.291
_symmetry_Int_Tables_number   1
_cell_volume   455.767
_cell_formula_units_Z   3
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  0.644  0.643  0.063  1.0
  Li  Li1  1  0.816  0.569  0.368  1.0
  Li  Li2  1  0.245  0.818  0.368  1.0
  Co  Co3  1  0.831  0.861  0.468  1.0
  Co  Co4  1  0.357  0.354  0.931  1.0
  Co  Co5  1  0.149  0.156  0.550  1.0
  S  S6  1  0.961  0.249  0.251  1.0
  S  S7  1  0.542  0.963  0.253  1.0
  S  S8  1  0.243  0.538  0.254  1.0
  S  S9  1  0.750  0.456  0.754  1.0
  S  S10  1  0.454  0.042  0.757  1.0
  S  S11  1  0.043  0.753  0.751  1.0
  O  O12  1  0.893  0.712  0.911  1.0
  O  O13  1  0.708  0.494  0.911  1.0
  O  O14  1  0.996  0.038  0.305  1.0
  O  O15  1  0.476  0.896  0.923  1.0
  O  O16  1  0.978  0.290  0.391  1.0
  O  O17  1  0.768  0.373  0.234  1.0
  O  O18  1  0.628  0.765  0.243  1.0
  O  O19  1  0.665  0.993  0.311  1.0
  O  O20  1  0.359  0.631  0.243  1.0
  O  O21  1  0.953  0.316  0.708  1.0
  O  O22  1  0.731  0.638  0.594  1.0
  O  O23  1  0.650  0.028  0.617  1.0
  O  O24  1  0.344  0.982  0.388  1.0
  O  O25  1  0.278  0.345  0.397  1.0
  O  O26  1  0.032  0.661  0.302  1.0
  O  O27  1  0.615  0.375  0.771  1.0
  O  O28  1  0.331  0.023  0.693  1.0
  O  O29  1  0.369  0.243  0.771  1.0
  O  O30  1  0.243  0.621  0.761  1.0
  O  O31  1  0.030  0.732  0.594  1.0
  O  O32  1  0.524  0.107  0.081  1.0
  O  O33  1  0.028  0.958  0.696  1.0
  O  O34  1  0.298  0.508  0.083  1.0
  O  O35  1  0.116  0.290  0.083  1.0
[/CIF]
.
The compound described by LiCo(SO4)2 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra,  a cornercorner with one S(5)O4 tetrahedra,  a cornercorner with one S(6)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  a cornercorner with one Li(3)O4 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(11), one O(15), one O(5), and one O(7) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-73°. In the third Li site, Li(3) is bonded to one O(13), one O(20), one O(3), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(6)O4 tetrahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-72°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(12), one O(15), one O(20), one O(3), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra,  a cornercorner with one S(5)O4 tetrahedra,  a cornercorner with one S(6)O4 tetrahedra,  an edgeedge with one Li(2)O4 trigonal pyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the second Co site, Co(2) is bonded to one O(16), one O(18), one O(19), one O(21), one O(23), and one O(24) atom to form CoO6 octahedra that share  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra,  a cornercorner with one S(5)O4 tetrahedra, and  a cornercorner with one S(6)O4 tetrahedra. In the third Co site, Co(3) is bonded to one O(10), one O(13), one O(14), one O(17), one O(22), and one O(5) atom to form CoO6 octahedra that share  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra,  a cornercorner with one S(5)O4 tetrahedra,  a cornercorner with one S(6)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  a cornercorner with one Li(3)O4 trigonal pyramid. There are six inequivalent S sites. In the first S site, S(1) is bonded to one O(24), one O(3), one O(5), and one O(6) atom to form SO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  a cornercorner with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 25-44°. In the second S site, S(2) is bonded to one O(13), one O(21), one O(7), and one O(8) atom to form SO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  a cornercorner with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 30-47°. In the third S site, S(3) is bonded to one O(14), one O(15), one O(23), and one O(9) atom to form SO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  a cornercorner with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 26-49°. In the fourth S site, S(4) is bonded to one O(10), one O(11), one O(16), and one O(2) atom to form SO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 22-42°. In the fifth S site, S(5) is bonded to one O(12), one O(17), one O(18), and one O(4) atom to form SO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-45°. In the sixth S site, S(6) is bonded to one O(1), one O(19), one O(20), and one O(22) atom to form SO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 25-46°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Li(1) and one S(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Li(1) and one S(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Li(1) and one S(5) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(3), and one S(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one S(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one S(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Co(1) and one S(2) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one S(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Co(3) and one S(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Co(1), and one S(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one S(5) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(3), and one S(2) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Co(3) and one S(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(2), one Co(1), and one S(3) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Co(2) and one S(4) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Co(3) and one S(5) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one Co(2) and one S(5) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one S(6) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Co(1), and one S(6) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Co(2) and one S(2) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Co(3) and one S(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Co(2) and one S(3) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Co(2) and one S(1) atom. is represented by the CIF file [CIF]
data_LiCo(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.323
_cell_length_b   8.349
_cell_length_c   8.931
_cell_angle_alpha   62.374
_cell_angle_beta   62.626
_cell_angle_gamma   60.291
_symmetry_Int_Tables_number   1
_cell_volume   455.767
_cell_formula_units_Z   3
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  0.644  0.643  0.063  1.0
  Li  Li1  1  0.816  0.569  0.368  1.0
  Li  Li2  1  0.245  0.818  0.368  1.0
  Co  Co3  1  0.831  0.861  0.468  1.0
  Co  Co4  1  0.357  0.354  0.931  1.0
  Co  Co5  1  0.149  0.156  0.550  1.0
  S  S6  1  0.961  0.249  0.251  1.0
  S  S7  1  0.542  0.963  0.253  1.0
  S  S8  1  0.243  0.538  0.254  1.0
  S  S9  1  0.750  0.456  0.754  1.0
  S  S10  1  0.454  0.042  0.757  1.0
  S  S11  1  0.043  0.753  0.751  1.0
  O  O12  1  0.893  0.712  0.911  1.0
  O  O13  1  0.708  0.494  0.911  1.0
  O  O14  1  0.996  0.038  0.305  1.0
  O  O15  1  0.476  0.896  0.923  1.0
  O  O16  1  0.978  0.290  0.391  1.0
  O  O17  1  0.768  0.373  0.234  1.0
  O  O18  1  0.628  0.765  0.243  1.0
  O  O19  1  0.665  0.993  0.311  1.0
  O  O20  1  0.359  0.631  0.243  1.0
  O  O21  1  0.953  0.316  0.708  1.0
  O  O22  1  0.731  0.638  0.594  1.0
  O  O23  1  0.650  0.028  0.617  1.0
  O  O24  1  0.344  0.982  0.388  1.0
  O  O25  1  0.278  0.345  0.397  1.0
  O  O26  1  0.032  0.661  0.302  1.0
  O  O27  1  0.615  0.375  0.771  1.0
  O  O28  1  0.331  0.023  0.693  1.0
  O  O29  1  0.369  0.243  0.771  1.0
  O  O30  1  0.243  0.621  0.761  1.0
  O  O31  1  0.030  0.732  0.594  1.0
  O  O32  1  0.524  0.107  0.081  1.0
  O  O33  1  0.028  0.958  0.696  1.0
  O  O34  1  0.298  0.508  0.083  1.0
  O  O35  1  0.116  0.290  0.083  1.0
[/CIF]
.