The structure described by Li4MnCu3O8 is alpha Po-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. In the third Li site, Li(3) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Cu(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. Mn(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CuO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. In the second Cu site, Cu(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CuO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), two equivalent Li(2), one Cu(2), and two equivalent Cu(1) atoms to form OLi3Cu3 octahedra that share corners with six equivalent O(1)Li3Cu3 octahedra, edges with four equivalent O(3)Li3MnCu2 octahedra, and edges with eight equivalent O(2)Li3MnCu2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Mn(1), one Cu(1), and one Cu(2) atom to form OLi3MnCu2 octahedra that share corners with six equivalent O(2)Li3MnCu2 octahedra, edges with four equivalent O(1)Li3Cu3 octahedra, edges with four equivalent O(2)Li3MnCu2 octahedra, and edges with four equivalent O(3)Li3MnCu2 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), one Mn(1), and two equivalent Cu(1) atoms to form OLi3MnCu2 octahedra that share corners with six equivalent O(3)Li3MnCu2 octahedra, edges with four equivalent O(1)Li3Cu3 octahedra, and edges with eight equivalent O(2)Li3MnCu2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Li4MnCu3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.195
_cell_length_b   10.200
_cell_length_c   14.409
_cell_angle_alpha   19.507
_cell_angle_beta   19.511
_cell_angle_gamma   33.666
_symmetry_Int_Tables_number   1
_cell_volume   144.347
_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  1.000  1.000  0.500  1.0
  Li  Li1  1  1.000  0.500  0.500  1.0
  Li  Li2  1  0.500  0.000  0.500  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Mn  Mn4  1  0.000  0.000  1.000  1.0
  Cu  Cu5  1  1.000  0.500  0.000  1.0
  Cu  Cu6  1  0.500  1.000  0.000  1.0
  Cu  Cu7  1  0.500  0.500  1.000  1.0
  O  O8  1  1.000  0.000  0.261  1.0
  O  O9  1  0.997  0.530  0.238  1.0
  O  O10  1  0.530  0.997  0.239  1.0
  O  O11  1  0.000  1.000  0.739  1.0
  O  O12  1  0.470  0.470  0.295  1.0
  O  O13  1  0.003  0.470  0.762  1.0
  O  O14  1  0.470  0.003  0.761  1.0
  O  O15  1  0.530  0.530  0.705  1.0
[/CIF]
.
The structure described by Li4MnCu3O8 is alpha Po-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. In the third Li site, Li(3) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Cu(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. Mn(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CuO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. In the second Cu site, Cu(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CuO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), two equivalent Li(2), one Cu(2), and two equivalent Cu(1) atoms to form OLi3Cu3 octahedra that share corners with six equivalent O(1)Li3Cu3 octahedra, edges with four equivalent O(3)Li3MnCu2 octahedra, and edges with eight equivalent O(2)Li3MnCu2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Mn(1), one Cu(1), and one Cu(2) atom to form OLi3MnCu2 octahedra that share corners with six equivalent O(2)Li3MnCu2 octahedra, edges with four equivalent O(1)Li3Cu3 octahedra, edges with four equivalent O(2)Li3MnCu2 octahedra, and edges with four equivalent O(3)Li3MnCu2 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), one Mn(1), and two equivalent Cu(1) atoms to form OLi3MnCu2 octahedra that share corners with six equivalent O(3)Li3MnCu2 octahedra, edges with four equivalent O(1)Li3Cu3 octahedra, and edges with eight equivalent O(2)Li3MnCu2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Li4MnCu3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.195
_cell_length_b   10.200
_cell_length_c   14.409
_cell_angle_alpha   19.507
_cell_angle_beta   19.511
_cell_angle_gamma   33.666
_symmetry_Int_Tables_number   1
_cell_volume   144.347
_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  1.000  1.000  0.500  1.0
  Li  Li1  1  1.000  0.500  0.500  1.0
  Li  Li2  1  0.500  0.000  0.500  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Mn  Mn4  1  0.000  0.000  1.000  1.0
  Cu  Cu5  1  1.000  0.500  0.000  1.0
  Cu  Cu6  1  0.500  1.000  0.000  1.0
  Cu  Cu7  1  0.500  0.500  1.000  1.0
  O  O8  1  1.000  0.000  0.261  1.0
  O  O9  1  0.997  0.530  0.238  1.0
  O  O10  1  0.530  0.997  0.239  1.0
  O  O11  1  0.000  1.000  0.739  1.0
  O  O12  1  0.470  0.470  0.295  1.0
  O  O13  1  0.003  0.470  0.762  1.0
  O  O14  1  0.470  0.003  0.761  1.0
  O  O15  1  0.530  0.530  0.705  1.0
[/CIF]
.