The crystal structure described by Li4NbCo3O8 is Stannite-like structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), one O(7), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Nb(1)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with two equivalent Co(3)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Nb(1)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with two equivalent Co(3)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Nb(1)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with two equivalent Co(3)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Nb(1)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with two equivalent Co(3)O4 tetrahedra. Nb(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form NbO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, and corners with two equivalent Co(2)O4 tetrahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form CoO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Nb(1)O4 tetrahedra, and corners with two equivalent Co(3)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form CoO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Nb(1)O4 tetrahedra, and corners with two equivalent Co(3)O4 tetrahedra. In the third Co site, Co(3) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form CoO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)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 to one Li(2), one Li(4), one Nb(1), and one Co(1) atom to form OLi2NbCo tetrahedra that share corners with two equivalent O(3)Li2Co2 tetrahedra, corners with two equivalent O(5)Li2Co2 tetrahedra, corners with two equivalent O(7)Li2Co2 tetrahedra, corners with two equivalent O(2)Li2NbCo tetrahedra, corners with two equivalent O(6)Li2NbCo tetrahedra, and corners with two equivalent O(8)Li2NbCo tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(4), one Nb(1), and one Co(2) atom to form OLi2NbCo tetrahedra that share corners with two equivalent O(4)Li2Co2 tetrahedra, corners with two equivalent O(5)Li2Co2 tetrahedra, corners with two equivalent O(7)Li2Co2 tetrahedra, corners with two equivalent O(1)Li2NbCo tetrahedra, corners with two equivalent O(6)Li2NbCo tetrahedra, and corners with two equivalent O(8)Li2NbCo tetrahedra. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Co(1), and one Co(3) atom to form OLi2Co2 tetrahedra that share corners with two equivalent O(4)Li2Co2 tetrahedra, corners with two equivalent O(5)Li2Co2 tetrahedra, corners with two equivalent O(7)Li2Co2 tetrahedra, corners with two equivalent O(1)Li2NbCo tetrahedra, corners with two equivalent O(6)Li2NbCo tetrahedra, and corners with two equivalent O(8)Li2NbCo tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Co(2), and one Co(3) atom to form OLi2Co2 tetrahedra that share corners with two equivalent O(3)Li2Co2 tetrahedra, corners with two equivalent O(5)Li2Co2 tetrahedra, corners with two equivalent O(7)Li2Co2 tetrahedra, corners with two equivalent O(2)Li2NbCo tetrahedra, corners with two equivalent O(6)Li2NbCo tetrahedra, and corners with two equivalent O(8)Li2NbCo tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Li(4), one Co(2), and one Co(3) atom to form OLi2Co2 tetrahedra that share corners with two equivalent O(3)Li2Co2 tetrahedra, corners with two equivalent O(4)Li2Co2 tetrahedra, corners with two equivalent O(7)Li2Co2 tetrahedra, corners with two equivalent O(1)Li2NbCo tetrahedra, corners with two equivalent O(2)Li2NbCo tetrahedra, and corners with two equivalent O(6)Li2NbCo tetrahedra. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Nb(1), and one Co(2) atom to form OLi2NbCo tetrahedra that share corners with two equivalent O(3)Li2Co2 tetrahedra, corners with two equivalent O(4)Li2Co2 tetrahedra, corners with two equivalent O(5)Li2Co2 tetrahedra, corners with two equivalent O(1)Li2NbCo tetrahedra, corners with two equivalent O(2)Li2NbCo tetrahedra, and corners with two equivalent O(8)Li2NbCo tetrahedra. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Co(1), and one Co(3) atom to form OLi2Co2 tetrahedra that share corners with two equivalent O(3)Li2Co2 tetrahedra, corners with two equivalent O(4)Li2Co2 tetrahedra, corners with two equivalent O(5)Li2Co2 tetrahedra, corners with two equivalent O(1)Li2NbCo tetrahedra, corners with two equivalent O(2)Li2NbCo tetrahedra, and corners with two equivalent O(8)Li2NbCo tetrahedra. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Nb(1), and one Co(1) atom to form OLi2NbCo tetrahedra that share corners with two equivalent O(3)Li2Co2 tetrahedra, corners with two equivalent O(4)Li2Co2 tetrahedra, corners with two equivalent O(7)Li2Co2 tetrahedra, corners with two equivalent O(1)Li2NbCo tetrahedra, corners with two equivalent O(2)Li2NbCo tetrahedra, and corners with two equivalent O(6)Li2NbCo tetrahedra. is represented by the CIF card [CIF]
data_Li4NbCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.133
_cell_length_b   5.638
_cell_length_c   6.538
_cell_angle_alpha   89.930
_cell_angle_beta   89.584
_cell_angle_gamma   89.967
_symmetry_Int_Tables_number   1
_cell_volume   189.222
_cell_formula_units_Z   1
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  0.993  0.908  0.390  1.0
  Li  Li1  1  0.499  0.579  0.863  1.0
  Li  Li2  1  0.993  0.440  0.125  1.0
  Li  Li3  1  0.499  0.093  0.624  1.0
  Nb  Nb4  1  0.505  0.084  0.124  1.0
  Co  Co5  1  0.989  0.908  0.855  1.0
  Co  Co6  1  0.504  0.574  0.390  1.0
  Co  Co7  1  0.994  0.414  0.628  1.0
  O  O8  1  0.382  0.928  0.890  1.0
  O  O9  1  0.390  0.919  0.359  1.0
  O  O10  1  0.884  0.582  0.864  1.0
  O  O11  1  0.882  0.575  0.389  1.0
  O  O12  1  0.363  0.417  0.626  1.0
  O  O13  1  0.391  0.402  0.129  1.0
  O  O14  1  0.886  0.097  0.623  1.0
  O  O15  1  0.872  0.080  0.122  1.0
[/CIF]
.
The crystal structure described by Li4NbCo3O8 is Stannite-like structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), one O(7), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Nb(1)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with two equivalent Co(3)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Nb(1)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with two equivalent Co(3)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Nb(1)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with two equivalent Co(3)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Nb(1)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with two equivalent Co(3)O4 tetrahedra. Nb(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form NbO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, and corners with two equivalent Co(2)O4 tetrahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form CoO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Nb(1)O4 tetrahedra, and corners with two equivalent Co(3)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form CoO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Nb(1)O4 tetrahedra, and corners with two equivalent Co(3)O4 tetrahedra. In the third Co site, Co(3) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form CoO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)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 to one Li(2), one Li(4), one Nb(1), and one Co(1) atom to form OLi2NbCo tetrahedra that share corners with two equivalent O(3)Li2Co2 tetrahedra, corners with two equivalent O(5)Li2Co2 tetrahedra, corners with two equivalent O(7)Li2Co2 tetrahedra, corners with two equivalent O(2)Li2NbCo tetrahedra, corners with two equivalent O(6)Li2NbCo tetrahedra, and corners with two equivalent O(8)Li2NbCo tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(4), one Nb(1), and one Co(2) atom to form OLi2NbCo tetrahedra that share corners with two equivalent O(4)Li2Co2 tetrahedra, corners with two equivalent O(5)Li2Co2 tetrahedra, corners with two equivalent O(7)Li2Co2 tetrahedra, corners with two equivalent O(1)Li2NbCo tetrahedra, corners with two equivalent O(6)Li2NbCo tetrahedra, and corners with two equivalent O(8)Li2NbCo tetrahedra. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Co(1), and one Co(3) atom to form OLi2Co2 tetrahedra that share corners with two equivalent O(4)Li2Co2 tetrahedra, corners with two equivalent O(5)Li2Co2 tetrahedra, corners with two equivalent O(7)Li2Co2 tetrahedra, corners with two equivalent O(1)Li2NbCo tetrahedra, corners with two equivalent O(6)Li2NbCo tetrahedra, and corners with two equivalent O(8)Li2NbCo tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Co(2), and one Co(3) atom to form OLi2Co2 tetrahedra that share corners with two equivalent O(3)Li2Co2 tetrahedra, corners with two equivalent O(5)Li2Co2 tetrahedra, corners with two equivalent O(7)Li2Co2 tetrahedra, corners with two equivalent O(2)Li2NbCo tetrahedra, corners with two equivalent O(6)Li2NbCo tetrahedra, and corners with two equivalent O(8)Li2NbCo tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Li(4), one Co(2), and one Co(3) atom to form OLi2Co2 tetrahedra that share corners with two equivalent O(3)Li2Co2 tetrahedra, corners with two equivalent O(4)Li2Co2 tetrahedra, corners with two equivalent O(7)Li2Co2 tetrahedra, corners with two equivalent O(1)Li2NbCo tetrahedra, corners with two equivalent O(2)Li2NbCo tetrahedra, and corners with two equivalent O(6)Li2NbCo tetrahedra. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Nb(1), and one Co(2) atom to form OLi2NbCo tetrahedra that share corners with two equivalent O(3)Li2Co2 tetrahedra, corners with two equivalent O(4)Li2Co2 tetrahedra, corners with two equivalent O(5)Li2Co2 tetrahedra, corners with two equivalent O(1)Li2NbCo tetrahedra, corners with two equivalent O(2)Li2NbCo tetrahedra, and corners with two equivalent O(8)Li2NbCo tetrahedra. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Co(1), and one Co(3) atom to form OLi2Co2 tetrahedra that share corners with two equivalent O(3)Li2Co2 tetrahedra, corners with two equivalent O(4)Li2Co2 tetrahedra, corners with two equivalent O(5)Li2Co2 tetrahedra, corners with two equivalent O(1)Li2NbCo tetrahedra, corners with two equivalent O(2)Li2NbCo tetrahedra, and corners with two equivalent O(8)Li2NbCo tetrahedra. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Nb(1), and one Co(1) atom to form OLi2NbCo tetrahedra that share corners with two equivalent O(3)Li2Co2 tetrahedra, corners with two equivalent O(4)Li2Co2 tetrahedra, corners with two equivalent O(7)Li2Co2 tetrahedra, corners with two equivalent O(1)Li2NbCo tetrahedra, corners with two equivalent O(2)Li2NbCo tetrahedra, and corners with two equivalent O(6)Li2NbCo tetrahedra. is represented by the CIF card [CIF]
data_Li4NbCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.133
_cell_length_b   5.638
_cell_length_c   6.538
_cell_angle_alpha   89.930
_cell_angle_beta   89.584
_cell_angle_gamma   89.967
_symmetry_Int_Tables_number   1
_cell_volume   189.222
_cell_formula_units_Z   1
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  0.993  0.908  0.390  1.0
  Li  Li1  1  0.499  0.579  0.863  1.0
  Li  Li2  1  0.993  0.440  0.125  1.0
  Li  Li3  1  0.499  0.093  0.624  1.0
  Nb  Nb4  1  0.505  0.084  0.124  1.0
  Co  Co5  1  0.989  0.908  0.855  1.0
  Co  Co6  1  0.504  0.574  0.390  1.0
  Co  Co7  1  0.994  0.414  0.628  1.0
  O  O8  1  0.382  0.928  0.890  1.0
  O  O9  1  0.390  0.919  0.359  1.0
  O  O10  1  0.884  0.582  0.864  1.0
  O  O11  1  0.882  0.575  0.389  1.0
  O  O12  1  0.363  0.417  0.626  1.0
  O  O13  1  0.391  0.402  0.129  1.0
  O  O14  1  0.886  0.097  0.623  1.0
  O  O15  1  0.872  0.080  0.122  1.0
[/CIF]
.