The compound described by Li6Cr5CuO12 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with six equivalent Cr(3)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with six equivalent Li(2)O6 octahedra, and  a faceface with one Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-52°. In the second Li site, Li(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with three equivalent Cr(3)O6 octahedra, corners with three equivalent Cu(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and  a faceface with one Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-52°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Cr(1)O6 octahedra, edges with three equivalent Cr(2)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the second Cr site, Cr(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. In the third Cr site, Cr(3) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, corners with six equivalent Li(2)O6 octahedra, edges with three equivalent Cr(3)O6 octahedra, edges with three equivalent Cu(1)O6 octahedra, and faces with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. Cu(1) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form CuO6 octahedra that share corners with twelve equivalent Li(2)O6 octahedra, edges with six equivalent Cr(3)O6 octahedra, and faces with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), one Cr(2), and two equivalent Cr(1) atoms to form OLi3Cr3 octahedra that share  a cornercorner with one O(1)Li3Cr3 octahedra, corners with two equivalent O(3)Li3Cr3 octahedra, corners with two equivalent O(2)Li3Cr2Cu pentagonal pyramids,  an edgeedge with one O(1)Li3Cr3 octahedra, edges with eight equivalent O(3)Li3Cr3 octahedra, and edges with two equivalent O(2)Li3Cr2Cu pentagonal pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), two equivalent Cr(3), and one Cu(1) atom to form distorted OLi3Cr2Cu pentagonal pyramids that share  a cornercorner with one O(1)Li3Cr3 octahedra, corners with two equivalent O(3)Li3Cr3 octahedra, corners with two equivalent O(2)Li3Cr2Cu pentagonal pyramids,  an edgeedge with one O(1)Li3Cr3 octahedra, edges with two equivalent O(3)Li3Cr3 octahedra, and edges with five equivalent O(2)Li3Cr2Cu pentagonal pyramids. The corner-sharing octahedral tilt angles range from 6-8°. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), one Cr(2), and two equivalent Cr(1) atoms to form OLi3Cr3 octahedra that share  a cornercorner with one O(1)Li3Cr3 octahedra, corners with two equivalent O(3)Li3Cr3 octahedra, corners with two equivalent O(2)Li3Cr2Cu pentagonal pyramids, edges with four equivalent O(1)Li3Cr3 octahedra, edges with five equivalent O(3)Li3Cr3 octahedra, and edges with two equivalent O(2)Li3Cr2Cu pentagonal pyramids. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), two equivalent Li(2), two equivalent Cr(3), and one Cu(1) atom. is represented by the CIF file [CIF]
data_Li6Cr5CuO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.095
_cell_length_b   5.095
_cell_length_c   9.999
_cell_angle_alpha   85.716
_cell_angle_beta   94.284
_cell_angle_gamma   59.938
_symmetry_Int_Tables_number   1
_cell_volume   222.106
_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  0.114  0.886  0.251  1.0
  Li  Li1  1  0.221  0.448  0.742  1.0
  Li  Li2  1  0.552  0.779  0.742  1.0
  Li  Li3  1  0.448  0.221  0.258  1.0
  Li  Li4  1  0.779  0.552  0.258  1.0
  Li  Li5  1  0.886  0.114  0.749  1.0
  Cr  Cr6  1  0.833  0.833  0.500  1.0
  Cr  Cr7  1  0.500  0.500  0.500  1.0
  Cr  Cr8  1  0.167  0.167  0.500  1.0
  Cr  Cr9  1  0.667  0.667  0.000  1.0
  Cr  Cr10  1  0.333  0.333  1.000  1.0
  Cu  Cu11  1  0.000  0.000  1.000  1.0
  O  O12  1  0.199  0.801  0.610  1.0
  O  O13  1  0.698  0.964  0.112  1.0
  O  O14  1  0.036  0.302  0.112  1.0
  O  O15  1  0.135  0.531  0.389  1.0
  O  O16  1  0.469  0.865  0.389  1.0
  O  O17  1  0.377  0.623  0.114  1.0
  O  O18  1  0.623  0.377  0.886  1.0
  O  O19  1  0.531  0.135  0.611  1.0
  O  O20  1  0.865  0.469  0.611  1.0
  O  O21  1  0.964  0.698  0.888  1.0
  O  O22  1  0.302  0.036  0.888  1.0
  O  O23  1  0.801  0.199  0.390  1.0
[/CIF]
.
The compound described by Li6Cr5CuO12 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with six equivalent Cr(3)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with six equivalent Li(2)O6 octahedra, and  a faceface with one Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-52°. In the second Li site, Li(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with three equivalent Cr(3)O6 octahedra, corners with three equivalent Cu(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and  a faceface with one Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-52°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Cr(1)O6 octahedra, edges with three equivalent Cr(2)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the second Cr site, Cr(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. In the third Cr site, Cr(3) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, corners with six equivalent Li(2)O6 octahedra, edges with three equivalent Cr(3)O6 octahedra, edges with three equivalent Cu(1)O6 octahedra, and faces with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. Cu(1) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form CuO6 octahedra that share corners with twelve equivalent Li(2)O6 octahedra, edges with six equivalent Cr(3)O6 octahedra, and faces with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), one Cr(2), and two equivalent Cr(1) atoms to form OLi3Cr3 octahedra that share  a cornercorner with one O(1)Li3Cr3 octahedra, corners with two equivalent O(3)Li3Cr3 octahedra, corners with two equivalent O(2)Li3Cr2Cu pentagonal pyramids,  an edgeedge with one O(1)Li3Cr3 octahedra, edges with eight equivalent O(3)Li3Cr3 octahedra, and edges with two equivalent O(2)Li3Cr2Cu pentagonal pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), two equivalent Cr(3), and one Cu(1) atom to form distorted OLi3Cr2Cu pentagonal pyramids that share  a cornercorner with one O(1)Li3Cr3 octahedra, corners with two equivalent O(3)Li3Cr3 octahedra, corners with two equivalent O(2)Li3Cr2Cu pentagonal pyramids,  an edgeedge with one O(1)Li3Cr3 octahedra, edges with two equivalent O(3)Li3Cr3 octahedra, and edges with five equivalent O(2)Li3Cr2Cu pentagonal pyramids. The corner-sharing octahedral tilt angles range from 6-8°. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), one Cr(2), and two equivalent Cr(1) atoms to form OLi3Cr3 octahedra that share  a cornercorner with one O(1)Li3Cr3 octahedra, corners with two equivalent O(3)Li3Cr3 octahedra, corners with two equivalent O(2)Li3Cr2Cu pentagonal pyramids, edges with four equivalent O(1)Li3Cr3 octahedra, edges with five equivalent O(3)Li3Cr3 octahedra, and edges with two equivalent O(2)Li3Cr2Cu pentagonal pyramids. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), two equivalent Li(2), two equivalent Cr(3), and one Cu(1) atom. is represented by the CIF file [CIF]
data_Li6Cr5CuO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.095
_cell_length_b   5.095
_cell_length_c   9.999
_cell_angle_alpha   85.716
_cell_angle_beta   94.284
_cell_angle_gamma   59.938
_symmetry_Int_Tables_number   1
_cell_volume   222.106
_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  0.114  0.886  0.251  1.0
  Li  Li1  1  0.221  0.448  0.742  1.0
  Li  Li2  1  0.552  0.779  0.742  1.0
  Li  Li3  1  0.448  0.221  0.258  1.0
  Li  Li4  1  0.779  0.552  0.258  1.0
  Li  Li5  1  0.886  0.114  0.749  1.0
  Cr  Cr6  1  0.833  0.833  0.500  1.0
  Cr  Cr7  1  0.500  0.500  0.500  1.0
  Cr  Cr8  1  0.167  0.167  0.500  1.0
  Cr  Cr9  1  0.667  0.667  0.000  1.0
  Cr  Cr10  1  0.333  0.333  1.000  1.0
  Cu  Cu11  1  0.000  0.000  1.000  1.0
  O  O12  1  0.199  0.801  0.610  1.0
  O  O13  1  0.698  0.964  0.112  1.0
  O  O14  1  0.036  0.302  0.112  1.0
  O  O15  1  0.135  0.531  0.389  1.0
  O  O16  1  0.469  0.865  0.389  1.0
  O  O17  1  0.377  0.623  0.114  1.0
  O  O18  1  0.623  0.377  0.886  1.0
  O  O19  1  0.531  0.135  0.611  1.0
  O  O20  1  0.865  0.469  0.611  1.0
  O  O21  1  0.964  0.698  0.888  1.0
  O  O22  1  0.302  0.036  0.888  1.0
  O  O23  1  0.801  0.199  0.390  1.0
[/CIF]
.