The material structure described by Li2CoCSO7 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(24), one O(6), and one O(9) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(10), one O(2), one O(23), and one O(5) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), one O(22), one O(6), and one O(9) atom. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), one O(21), and one O(5) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one S(1)O4 tetrahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles are 61°. In the fifth Li site, Li(5) is bonded to one O(11), one O(26), one O(3), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one S(4)O4 tetrahedra,  a cornercorner with one Li(7)O4 trigonal pyramid,  an edgeedge with one Co(4)O6 octahedra, and  an edgeedge with one Li(7)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 62°. In the sixth Li site, Li(6) is bonded to one O(12), one O(25), one O(4), and one O(7) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one S(3)O4 tetrahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 62°. In the seventh Li site, Li(7) is bonded to one O(11), one O(28), one O(3), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one S(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 trigonal pyramid,  an edgeedge with one Co(4)O6 octahedra, and  an edgeedge with one Li(5)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 62°. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(12), one O(27), one O(4), and one O(7) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(13), one O(20), one O(22), one O(24), and one O(6) atom to form distorted CoO6 octahedra that share  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra, corners with two equivalent S(2)O4 tetrahedra, and  a cornercorner with one Li(4)O4 trigonal pyramid. In the second Co site, Co(2) is bonded to one O(11), one O(16), one O(17), one O(25), one O(27), and one O(7) atom to form distorted CoO6 octahedra that share  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra, corners with two equivalent S(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 trigonal pyramid,  a cornercorner with one Li(7)O4 trigonal pyramid, and  an edgeedge with one Li(6)O4 trigonal pyramid. In the third Co site, Co(3) is bonded to one O(14), one O(19), one O(21), one O(23), one O(5), and one O(9) atom to form distorted CoO6 octahedra that share  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra, corners with two equivalent S(1)O4 tetrahedra, and  an edgeedge with one Li(4)O4 trigonal pyramid. In the fourth Co site, Co(4) is bonded to one O(12), one O(15), one O(18), one O(26), one O(28), and one O(8) atom to form distorted CoO6 octahedra that share  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra, corners with two equivalent S(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 trigonal pyramid,  an edgeedge with one Li(5)O4 trigonal pyramid, and  an edgeedge with one Li(7)O4 trigonal pyramid. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(9) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(10), one O(4), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(1), one O(11), and one O(7) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(12), one O(2), and one O(8) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded to one O(15), one O(17), one O(21), and one O(23) atom to form SO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, and  a cornercorner with one Li(4)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 42-57°. In the second S site, S(2) is bonded to one O(16), one O(18), one O(22), and one O(24) atom to form SO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and corners with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. In the third S site, S(3) is bonded to one O(13), one O(19), one O(25), and one O(27) atom to form SO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and  a cornercorner with one Li(6)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 42-57°. In the fourth S site, S(4) is bonded to one O(14), one O(20), one O(26), and one O(28) atom to form SO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(4)O6 octahedra,  a cornercorner with one Li(5)O4 trigonal pyramid, and  a cornercorner with one Li(7)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 42-57°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one C(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Li(4), and one C(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(5), one Li(7), and one C(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(6), one Li(8), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal pyramidal geometry to one Li(2), one Li(4), one Co(3), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(3), one Co(1), and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal pyramidal geometry to one Li(6), one Li(8), one Co(2), and one C(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal pyramidal geometry to one Li(5), one Li(7), one Co(4), and one C(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Co(3), and one C(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Co(1), and one C(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(5), one Li(7), one Co(2), and one C(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(6), one Li(8), one Co(4), and one C(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one S(3) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Co(3) and one S(4) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Co(4) and one S(1) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Co(2) and one S(2) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Co(2) and one S(1) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one Co(4) and one S(2) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one Co(3) and one S(3) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one Co(1) and one S(4) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(4), one Co(3), and one S(1) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(3), one Co(1), and one S(2) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(2), one Co(3), and one S(1) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one S(2) atom. In the twenty-fifth O site, O(25) is bonded in a 3-coordinate geometry to one Li(6), one Co(2), and one S(3) atom. In the twenty-sixth O site, O(26) is bonded in a 3-coordinate geometry to one Li(5), one Co(4), and one S(4) atom. In the twenty-seventh O site, O(27) is bonded in a 3-coordinate geometry to one Li(8), one Co(2), and one S(3) atom. In the twenty-eighth O site, O(28) is bonded in a 3-coordinate geometry to one Li(7), one Co(4), and one S(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2CoCSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.978
_cell_length_b   6.430
_cell_length_c   8.960
_cell_angle_alpha   89.909
_cell_angle_beta   83.394
_cell_angle_gamma   89.922
_symmetry_Int_Tables_number   1
_cell_volume   284.916
_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
  C  C0  1  0.727  0.249  0.072  1.0
  C  C1  1  0.273  0.750  0.928  1.0
  Co  Co2  1  0.766  0.251  0.353  1.0
  Co  Co3  1  0.234  0.750  0.648  1.0
  Li  Li4  1  0.211  0.485  0.182  1.0
  Li  Li5  1  0.212  0.015  0.182  1.0
  Li  Li6  1  0.789  0.515  0.818  1.0
  Li  Li7  1  0.788  0.984  0.818  1.0
  O  O8  1  0.301  0.750  0.067  1.0
  O  O9  1  0.699  0.249  0.933  1.0
  O  O10  1  0.964  0.252  0.122  1.0
  O  O11  1  0.036  0.750  0.878  1.0
  O  O12  1  0.518  0.248  0.177  1.0
  O  O13  1  0.483  0.750  0.823  1.0
  O  O14  1  0.145  0.251  0.440  1.0
  O  O15  1  0.855  0.751  0.560  1.0
  O  O16  1  0.450  0.750  0.436  1.0
  O  O17  1  0.549  0.250  0.564  1.0
  O  O18  1  0.849  0.936  0.320  1.0
  O  O19  1  0.849  0.566  0.320  1.0
  O  O20  1  0.150  0.435  0.680  1.0
  O  O21  1  0.151  0.065  0.680  1.0
  S  S22  1  0.752  0.751  0.411  1.0
  S  S23  1  0.247  0.250  0.589  1.0
[/CIF]
.
The material structure described by Li2CoCSO7 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(24), one O(6), and one O(9) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(10), one O(2), one O(23), and one O(5) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), one O(22), one O(6), and one O(9) atom. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), one O(21), and one O(5) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one S(1)O4 tetrahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles are 61°. In the fifth Li site, Li(5) is bonded to one O(11), one O(26), one O(3), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one S(4)O4 tetrahedra,  a cornercorner with one Li(7)O4 trigonal pyramid,  an edgeedge with one Co(4)O6 octahedra, and  an edgeedge with one Li(7)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 62°. In the sixth Li site, Li(6) is bonded to one O(12), one O(25), one O(4), and one O(7) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one S(3)O4 tetrahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 62°. In the seventh Li site, Li(7) is bonded to one O(11), one O(28), one O(3), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one S(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 trigonal pyramid,  an edgeedge with one Co(4)O6 octahedra, and  an edgeedge with one Li(5)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 62°. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(12), one O(27), one O(4), and one O(7) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(13), one O(20), one O(22), one O(24), and one O(6) atom to form distorted CoO6 octahedra that share  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra, corners with two equivalent S(2)O4 tetrahedra, and  a cornercorner with one Li(4)O4 trigonal pyramid. In the second Co site, Co(2) is bonded to one O(11), one O(16), one O(17), one O(25), one O(27), and one O(7) atom to form distorted CoO6 octahedra that share  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra, corners with two equivalent S(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 trigonal pyramid,  a cornercorner with one Li(7)O4 trigonal pyramid, and  an edgeedge with one Li(6)O4 trigonal pyramid. In the third Co site, Co(3) is bonded to one O(14), one O(19), one O(21), one O(23), one O(5), and one O(9) atom to form distorted CoO6 octahedra that share  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra, corners with two equivalent S(1)O4 tetrahedra, and  an edgeedge with one Li(4)O4 trigonal pyramid. In the fourth Co site, Co(4) is bonded to one O(12), one O(15), one O(18), one O(26), one O(28), and one O(8) atom to form distorted CoO6 octahedra that share  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra, corners with two equivalent S(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 trigonal pyramid,  an edgeedge with one Li(5)O4 trigonal pyramid, and  an edgeedge with one Li(7)O4 trigonal pyramid. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(9) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(10), one O(4), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(1), one O(11), and one O(7) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(12), one O(2), and one O(8) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded to one O(15), one O(17), one O(21), and one O(23) atom to form SO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, and  a cornercorner with one Li(4)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 42-57°. In the second S site, S(2) is bonded to one O(16), one O(18), one O(22), and one O(24) atom to form SO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and corners with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. In the third S site, S(3) is bonded to one O(13), one O(19), one O(25), and one O(27) atom to form SO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and  a cornercorner with one Li(6)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 42-57°. In the fourth S site, S(4) is bonded to one O(14), one O(20), one O(26), and one O(28) atom to form SO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(4)O6 octahedra,  a cornercorner with one Li(5)O4 trigonal pyramid, and  a cornercorner with one Li(7)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 42-57°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one C(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Li(4), and one C(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(5), one Li(7), and one C(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(6), one Li(8), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal pyramidal geometry to one Li(2), one Li(4), one Co(3), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(3), one Co(1), and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal pyramidal geometry to one Li(6), one Li(8), one Co(2), and one C(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal pyramidal geometry to one Li(5), one Li(7), one Co(4), and one C(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Co(3), and one C(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Co(1), and one C(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(5), one Li(7), one Co(2), and one C(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(6), one Li(8), one Co(4), and one C(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one S(3) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Co(3) and one S(4) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Co(4) and one S(1) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Co(2) and one S(2) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Co(2) and one S(1) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one Co(4) and one S(2) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one Co(3) and one S(3) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one Co(1) and one S(4) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(4), one Co(3), and one S(1) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(3), one Co(1), and one S(2) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(2), one Co(3), and one S(1) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one S(2) atom. In the twenty-fifth O site, O(25) is bonded in a 3-coordinate geometry to one Li(6), one Co(2), and one S(3) atom. In the twenty-sixth O site, O(26) is bonded in a 3-coordinate geometry to one Li(5), one Co(4), and one S(4) atom. In the twenty-seventh O site, O(27) is bonded in a 3-coordinate geometry to one Li(8), one Co(2), and one S(3) atom. In the twenty-eighth O site, O(28) is bonded in a 3-coordinate geometry to one Li(7), one Co(4), and one S(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2CoCSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.978
_cell_length_b   6.430
_cell_length_c   8.960
_cell_angle_alpha   89.909
_cell_angle_beta   83.394
_cell_angle_gamma   89.922
_symmetry_Int_Tables_number   1
_cell_volume   284.916
_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
  C  C0  1  0.727  0.249  0.072  1.0
  C  C1  1  0.273  0.750  0.928  1.0
  Co  Co2  1  0.766  0.251  0.353  1.0
  Co  Co3  1  0.234  0.750  0.648  1.0
  Li  Li4  1  0.211  0.485  0.182  1.0
  Li  Li5  1  0.212  0.015  0.182  1.0
  Li  Li6  1  0.789  0.515  0.818  1.0
  Li  Li7  1  0.788  0.984  0.818  1.0
  O  O8  1  0.301  0.750  0.067  1.0
  O  O9  1  0.699  0.249  0.933  1.0
  O  O10  1  0.964  0.252  0.122  1.0
  O  O11  1  0.036  0.750  0.878  1.0
  O  O12  1  0.518  0.248  0.177  1.0
  O  O13  1  0.483  0.750  0.823  1.0
  O  O14  1  0.145  0.251  0.440  1.0
  O  O15  1  0.855  0.751  0.560  1.0
  O  O16  1  0.450  0.750  0.436  1.0
  O  O17  1  0.549  0.250  0.564  1.0
  O  O18  1  0.849  0.936  0.320  1.0
  O  O19  1  0.849  0.566  0.320  1.0
  O  O20  1  0.150  0.435  0.680  1.0
  O  O21  1  0.151  0.065  0.680  1.0
  S  S22  1  0.752  0.751  0.411  1.0
  S  S23  1  0.247  0.250  0.589  1.0
[/CIF]
.