The compound described by Li4FeCo3O8 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 Fe(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 Fe(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 Fe(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 Fe(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. Fe(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form FeO4 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 Fe(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 Fe(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 Fe(1), and one Co(1) atom to form OLi2FeCo 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)Li2FeCo tetrahedra, corners with two equivalent O(6)Li2FeCo tetrahedra, and corners with two equivalent O(8)Li2FeCo tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(4), one Fe(1), and one Co(2) atom to form OLi2FeCo 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)Li2FeCo tetrahedra, corners with two equivalent O(6)Li2FeCo tetrahedra, and corners with two equivalent O(8)Li2FeCo 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)Li2FeCo tetrahedra, corners with two equivalent O(6)Li2FeCo tetrahedra, and corners with two equivalent O(8)Li2FeCo 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)Li2FeCo tetrahedra, corners with two equivalent O(6)Li2FeCo tetrahedra, and corners with two equivalent O(8)Li2FeCo 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)Li2FeCo tetrahedra, corners with two equivalent O(2)Li2FeCo tetrahedra, and corners with two equivalent O(6)Li2FeCo tetrahedra. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Fe(1), and one Co(2) atom to form OLi2FeCo 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)Li2FeCo tetrahedra, corners with two equivalent O(2)Li2FeCo tetrahedra, and corners with two equivalent O(8)Li2FeCo 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)Li2FeCo tetrahedra, corners with two equivalent O(2)Li2FeCo tetrahedra, and corners with two equivalent O(8)Li2FeCo tetrahedra. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Fe(1), and one Co(1) atom to form OLi2FeCo 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)Li2FeCo tetrahedra, corners with two equivalent O(2)Li2FeCo tetrahedra, and corners with two equivalent O(6)Li2FeCo tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4FeCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.987
_cell_length_b   5.483
_cell_length_c   6.284
_cell_angle_alpha   90.670
_cell_angle_beta   89.946
_cell_angle_gamma   89.879
_symmetry_Int_Tables_number   1
_cell_volume   171.796
_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  0.002  0.079  0.626  1.0
  Li  Li1  1  0.489  0.419  0.125  1.0
  Li  Li2  1  0.994  0.584  0.873  1.0
  Li  Li3  1  0.496  0.921  0.376  1.0
  Fe  Fe4  1  0.497  0.919  0.877  1.0
  Co  Co5  1  0.993  0.087  0.134  1.0
  Co  Co6  1  0.500  0.419  0.623  1.0
  Co  Co7  1  0.999  0.579  0.371  1.0
  O  O8  1  0.374  0.081  0.124  1.0
  O  O9  1  0.395  0.094  0.631  1.0
  O  O10  1  0.891  0.404  0.134  1.0
  O  O11  1  0.868  0.419  0.604  1.0
  O  O12  1  0.367  0.582  0.393  1.0
  O  O13  1  0.384  0.589  0.866  1.0
  O  O14  1  0.899  0.899  0.359  1.0
  O  O15  1  0.877  0.925  0.883  1.0
[/CIF]
.
The compound described by Li4FeCo3O8 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 Fe(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 Fe(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 Fe(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 Fe(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. Fe(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form FeO4 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 Fe(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 Fe(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 Fe(1), and one Co(1) atom to form OLi2FeCo 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)Li2FeCo tetrahedra, corners with two equivalent O(6)Li2FeCo tetrahedra, and corners with two equivalent O(8)Li2FeCo tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(4), one Fe(1), and one Co(2) atom to form OLi2FeCo 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)Li2FeCo tetrahedra, corners with two equivalent O(6)Li2FeCo tetrahedra, and corners with two equivalent O(8)Li2FeCo 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)Li2FeCo tetrahedra, corners with two equivalent O(6)Li2FeCo tetrahedra, and corners with two equivalent O(8)Li2FeCo 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)Li2FeCo tetrahedra, corners with two equivalent O(6)Li2FeCo tetrahedra, and corners with two equivalent O(8)Li2FeCo 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)Li2FeCo tetrahedra, corners with two equivalent O(2)Li2FeCo tetrahedra, and corners with two equivalent O(6)Li2FeCo tetrahedra. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Fe(1), and one Co(2) atom to form OLi2FeCo 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)Li2FeCo tetrahedra, corners with two equivalent O(2)Li2FeCo tetrahedra, and corners with two equivalent O(8)Li2FeCo 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)Li2FeCo tetrahedra, corners with two equivalent O(2)Li2FeCo tetrahedra, and corners with two equivalent O(8)Li2FeCo tetrahedra. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Fe(1), and one Co(1) atom to form OLi2FeCo 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)Li2FeCo tetrahedra, corners with two equivalent O(2)Li2FeCo tetrahedra, and corners with two equivalent O(6)Li2FeCo tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4FeCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.987
_cell_length_b   5.483
_cell_length_c   6.284
_cell_angle_alpha   90.670
_cell_angle_beta   89.946
_cell_angle_gamma   89.879
_symmetry_Int_Tables_number   1
_cell_volume   171.796
_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  0.002  0.079  0.626  1.0
  Li  Li1  1  0.489  0.419  0.125  1.0
  Li  Li2  1  0.994  0.584  0.873  1.0
  Li  Li3  1  0.496  0.921  0.376  1.0
  Fe  Fe4  1  0.497  0.919  0.877  1.0
  Co  Co5  1  0.993  0.087  0.134  1.0
  Co  Co6  1  0.500  0.419  0.623  1.0
  Co  Co7  1  0.999  0.579  0.371  1.0
  O  O8  1  0.374  0.081  0.124  1.0
  O  O9  1  0.395  0.094  0.631  1.0
  O  O10  1  0.891  0.404  0.134  1.0
  O  O11  1  0.868  0.419  0.604  1.0
  O  O12  1  0.367  0.582  0.393  1.0
  O  O13  1  0.384  0.589  0.866  1.0
  O  O14  1  0.899  0.899  0.359  1.0
  O  O15  1  0.877  0.925  0.883  1.0
[/CIF]
.