The compound described by Li4Fe3Cu2Sb3O16 is Hausmannite-derived 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(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Sb(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Sb(3)O6 octahedra, and corners with three equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-64°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(14), one O(16), one O(5), and one O(9) atom. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(4), and one O(6) atom. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Sb(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, and corners with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Sb(1)O6 octahedra, and edges with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form FeO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Sb(3)O6 octahedra. In the third Fe site, Fe(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Sb(3)O6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one O(1), one O(10), one O(2), and one O(6) atom. In the second Cu site, Cu(2) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form CuO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Sb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form SbO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second Sb site, Sb(2) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form SbO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. In the third Sb site, Sb(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form SbO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Fe(2), one Cu(1), and one Sb(3) atom. In the second O site, O(2) is bonded to one Li(4), one Cu(1), one Sb(1), and one Sb(2) atom to form distorted OLiCuSb2 tetrahedra that share corners with two equivalent O(4)LiFeSb2 tetrahedra and  a cornercorner with one O(14)LiFeCuSb trigonal pyramid. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), one Sb(1), and one Sb(2) atom. In the fourth O site, O(4) is bonded to one Li(3), one Fe(1), one Sb(1), and one Sb(2) atom to form distorted OLiFeSb2 tetrahedra that share corners with two equivalent O(2)LiCuSb2 tetrahedra and  an edgeedge with one O(14)LiFeCuSb trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(2), one Fe(2), one Fe(3), and one Sb(3) atom to form distorted OLiFe2Sb tetrahedra that share corners with two equivalent O(15)LiFe2Cu tetrahedra and  a cornercorner with one O(14)LiFeCuSb trigonal pyramid. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one Fe(3), one Cu(1), and one Sb(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(4), one Fe(1), and one Sb(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(4), one Fe(1), and one Sb(2) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Cu(2), one Sb(1), and one Sb(2) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Fe(2), one Fe(3), and one Cu(1) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(2), one Cu(2), and one Sb(3) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(3), one Cu(2), and one Sb(3) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one Fe(2), one Fe(3), and one Sb(3) atom. In the fourteenth O site, O(14) is bonded to one Li(2), one Fe(1), one Cu(2), and one Sb(1) atom to form distorted OLiFeCuSb trigonal pyramids that share  a cornercorner with one O(2)LiCuSb2 tetrahedra,  a cornercorner with one O(15)LiFe2Cu tetrahedra,  a cornercorner with one O(5)LiFe2Sb tetrahedra, and  an edgeedge with one O(4)LiFeSb2 tetrahedra. In the fifteenth O site, O(15) is bonded to one Li(1), one Fe(2), one Fe(3), and one Cu(2) atom to form distorted OLiFe2Cu tetrahedra that share corners with two equivalent O(5)LiFe2Sb tetrahedra and  a cornercorner with one O(14)LiFeCuSb trigonal pyramid. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Fe(1), one Cu(2), and one Sb(2) atom. is represented by the CIF file [CIF]
data_Li4Fe3Cu2Sb3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.120
_cell_length_b   6.142
_cell_length_c   9.949
_cell_angle_alpha   90.570
_cell_angle_beta   90.657
_cell_angle_gamma   120.279
_symmetry_Int_Tables_number   1
_cell_volume   322.884
_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  0.327  0.665  0.877  1.0
  Li  Li1  1  0.974  0.980  0.992  1.0
  Li  Li2  1  0.979  0.987  0.503  1.0
  Li  Li3  1  0.658  0.333  0.397  1.0
  Fe  Fe4  1  0.666  0.834  0.218  1.0
  Fe  Fe5  1  0.829  0.662  0.716  1.0
  Fe  Fe6  1  0.831  0.169  0.716  1.0
  Cu  Cu7  1  0.340  0.668  0.530  1.0
  Cu  Cu8  1  0.697  0.349  0.979  1.0
  Sb  Sb9  1  0.175  0.834  0.214  1.0
  Sb  Sb10  1  0.174  0.340  0.214  1.0
  Sb  Sb11  1  0.340  0.171  0.717  1.0
  O  O12  1  0.159  0.847  0.604  1.0
  O  O13  1  0.031  0.517  0.328  1.0
  O  O14  1  0.328  0.663  0.100  1.0
  O  O15  1  0.013  0.006  0.320  1.0
  O  O16  1  0.007  0.004  0.813  1.0
  O  O17  1  0.157  0.310  0.604  1.0
  O  O18  1  0.491  0.981  0.321  1.0
  O  O19  1  0.487  0.514  0.323  1.0
  O  O20  1  0.309  0.153  0.101  1.0
  O  O21  1  0.678  0.840  0.607  1.0
  O  O22  1  0.512  0.484  0.832  1.0
  O  O23  1  0.515  0.036  0.835  1.0
  O  O24  1  0.658  0.328  0.603  1.0
  O  O25  1  0.851  0.686  0.105  1.0
  O  O26  1  0.959  0.481  0.835  1.0
  O  O27  1  0.854  0.157  0.105  1.0
[/CIF]
.
The compound described by Li4Fe3Cu2Sb3O16 is Hausmannite-derived 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(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Sb(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Sb(3)O6 octahedra, and corners with three equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-64°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(14), one O(16), one O(5), and one O(9) atom. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(4), and one O(6) atom. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Sb(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, and corners with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Sb(1)O6 octahedra, and edges with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form FeO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Sb(3)O6 octahedra. In the third Fe site, Fe(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Sb(3)O6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one O(1), one O(10), one O(2), and one O(6) atom. In the second Cu site, Cu(2) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form CuO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Sb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form SbO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second Sb site, Sb(2) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form SbO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. In the third Sb site, Sb(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form SbO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Fe(2), one Cu(1), and one Sb(3) atom. In the second O site, O(2) is bonded to one Li(4), one Cu(1), one Sb(1), and one Sb(2) atom to form distorted OLiCuSb2 tetrahedra that share corners with two equivalent O(4)LiFeSb2 tetrahedra and  a cornercorner with one O(14)LiFeCuSb trigonal pyramid. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), one Sb(1), and one Sb(2) atom. In the fourth O site, O(4) is bonded to one Li(3), one Fe(1), one Sb(1), and one Sb(2) atom to form distorted OLiFeSb2 tetrahedra that share corners with two equivalent O(2)LiCuSb2 tetrahedra and  an edgeedge with one O(14)LiFeCuSb trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(2), one Fe(2), one Fe(3), and one Sb(3) atom to form distorted OLiFe2Sb tetrahedra that share corners with two equivalent O(15)LiFe2Cu tetrahedra and  a cornercorner with one O(14)LiFeCuSb trigonal pyramid. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one Fe(3), one Cu(1), and one Sb(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(4), one Fe(1), and one Sb(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(4), one Fe(1), and one Sb(2) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Cu(2), one Sb(1), and one Sb(2) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Fe(2), one Fe(3), and one Cu(1) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(2), one Cu(2), and one Sb(3) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(3), one Cu(2), and one Sb(3) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one Fe(2), one Fe(3), and one Sb(3) atom. In the fourteenth O site, O(14) is bonded to one Li(2), one Fe(1), one Cu(2), and one Sb(1) atom to form distorted OLiFeCuSb trigonal pyramids that share  a cornercorner with one O(2)LiCuSb2 tetrahedra,  a cornercorner with one O(15)LiFe2Cu tetrahedra,  a cornercorner with one O(5)LiFe2Sb tetrahedra, and  an edgeedge with one O(4)LiFeSb2 tetrahedra. In the fifteenth O site, O(15) is bonded to one Li(1), one Fe(2), one Fe(3), and one Cu(2) atom to form distorted OLiFe2Cu tetrahedra that share corners with two equivalent O(5)LiFe2Sb tetrahedra and  a cornercorner with one O(14)LiFeCuSb trigonal pyramid. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Fe(1), one Cu(2), and one Sb(2) atom. is represented by the CIF file [CIF]
data_Li4Fe3Cu2Sb3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.120
_cell_length_b   6.142
_cell_length_c   9.949
_cell_angle_alpha   90.570
_cell_angle_beta   90.657
_cell_angle_gamma   120.279
_symmetry_Int_Tables_number   1
_cell_volume   322.884
_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  0.327  0.665  0.877  1.0
  Li  Li1  1  0.974  0.980  0.992  1.0
  Li  Li2  1  0.979  0.987  0.503  1.0
  Li  Li3  1  0.658  0.333  0.397  1.0
  Fe  Fe4  1  0.666  0.834  0.218  1.0
  Fe  Fe5  1  0.829  0.662  0.716  1.0
  Fe  Fe6  1  0.831  0.169  0.716  1.0
  Cu  Cu7  1  0.340  0.668  0.530  1.0
  Cu  Cu8  1  0.697  0.349  0.979  1.0
  Sb  Sb9  1  0.175  0.834  0.214  1.0
  Sb  Sb10  1  0.174  0.340  0.214  1.0
  Sb  Sb11  1  0.340  0.171  0.717  1.0
  O  O12  1  0.159  0.847  0.604  1.0
  O  O13  1  0.031  0.517  0.328  1.0
  O  O14  1  0.328  0.663  0.100  1.0
  O  O15  1  0.013  0.006  0.320  1.0
  O  O16  1  0.007  0.004  0.813  1.0
  O  O17  1  0.157  0.310  0.604  1.0
  O  O18  1  0.491  0.981  0.321  1.0
  O  O19  1  0.487  0.514  0.323  1.0
  O  O20  1  0.309  0.153  0.101  1.0
  O  O21  1  0.678  0.840  0.607  1.0
  O  O22  1  0.512  0.484  0.832  1.0
  O  O23  1  0.515  0.036  0.835  1.0
  O  O24  1  0.658  0.328  0.603  1.0
  O  O25  1  0.851  0.686  0.105  1.0
  O  O26  1  0.959  0.481  0.835  1.0
  O  O27  1  0.854  0.157  0.105  1.0
[/CIF]
.