The compound described by Li5Cr2Fe3O10 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are three 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(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-14°. In the third Li site, Li(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. Cr(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form CrO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-14°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Cr(1), one Fe(2), and two equivalent Fe(1) atoms to form OLi2CrFe3 octahedra that share  a cornercorner with one O(1)Li2CrFe3 octahedra,  a cornercorner with one O(3)Li2CrFe3 octahedra,  a cornercorner with one O(4)Li3CrFe2 octahedra,  a cornercorner with one O(2)Li4Cr2 octahedra, corners with two equivalent O(5)Li4CrFe octahedra,  an edgeedge with one O(1)Li2CrFe3 octahedra, edges with two equivalent O(2)Li4Cr2 octahedra, edges with two equivalent O(5)Li4CrFe octahedra, edges with three equivalent O(4)Li3CrFe2 octahedra, and edges with four equivalent O(3)Li2CrFe3 octahedra. The corner-sharing octahedral tilt angles range from 0-16°. In the second O site, O(2) is bonded to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Cr(1) atoms to form OLi4Cr2 octahedra that share  a cornercorner with one O(1)Li2CrFe3 octahedra,  a cornercorner with one O(4)Li3CrFe2 octahedra,  a cornercorner with one O(2)Li4Cr2 octahedra,  a cornercorner with one O(5)Li4CrFe octahedra, corners with two equivalent O(3)Li2CrFe3 octahedra,  an edgeedge with one O(3)Li2CrFe3 octahedra, edges with two equivalent O(1)Li2CrFe3 octahedra, edges with two equivalent O(2)Li4Cr2 octahedra, edges with three equivalent O(4)Li3CrFe2 octahedra, and edges with four equivalent O(5)Li4CrFe octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the third O site, O(3) is bonded to two equivalent Li(2), one Cr(1), one Fe(2), and two equivalent Fe(1) atoms to form OLi2CrFe3 octahedra that share  a cornercorner with one O(1)Li2CrFe3 octahedra,  a cornercorner with one O(3)Li2CrFe3 octahedra,  a cornercorner with one O(4)Li3CrFe2 octahedra,  a cornercorner with one O(5)Li4CrFe octahedra, corners with two equivalent O(2)Li4Cr2 octahedra,  an edgeedge with one O(2)Li4Cr2 octahedra, edges with two equivalent O(3)Li2CrFe3 octahedra, edges with two equivalent O(5)Li4CrFe octahedra, edges with three equivalent O(4)Li3CrFe2 octahedra, and edges with four equivalent O(1)Li2CrFe3 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Cr(1), one Fe(1), and one Fe(2) atom to form OLi3CrFe2 octahedra that share  a cornercorner with one O(1)Li2CrFe3 octahedra,  a cornercorner with one O(3)Li2CrFe3 octahedra,  a cornercorner with one O(2)Li4Cr2 octahedra,  a cornercorner with one O(5)Li4CrFe octahedra, corners with two equivalent O(4)Li3CrFe2 octahedra, edges with three equivalent O(1)Li2CrFe3 octahedra, edges with three equivalent O(3)Li2CrFe3 octahedra, edges with three equivalent O(2)Li4Cr2 octahedra, and edges with three equivalent O(5)Li4CrFe octahedra. The corner-sharing octahedral tilt angles range from 0-16°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Cr(1), and one Fe(1) atom to form OLi4CrFe octahedra that share  a cornercorner with one O(3)Li2CrFe3 octahedra,  a cornercorner with one O(4)Li3CrFe2 octahedra,  a cornercorner with one O(2)Li4Cr2 octahedra,  a cornercorner with one O(5)Li4CrFe octahedra, corners with two equivalent O(1)Li2CrFe3 octahedra,  an edgeedge with one O(5)Li4CrFe octahedra, edges with two equivalent O(1)Li2CrFe3 octahedra, edges with two equivalent O(3)Li2CrFe3 octahedra, edges with three equivalent O(4)Li3CrFe2 octahedra, and edges with four equivalent O(2)Li4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Cr2Fe3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.132
_cell_length_b   5.140
_cell_length_c   7.909
_cell_angle_alpha   71.520
_cell_angle_beta   71.393
_cell_angle_gamma   80.138
_symmetry_Int_Tables_number   1
_cell_volume   186.958
_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  0.498  0.785  0.417  1.0
  Li  Li1  1  0.514  0.612  0.773  1.0
  Li  Li2  1  0.000  0.500  0.500  1.0
  Li  Li3  1  0.486  0.388  0.227  1.0
  Li  Li4  1  0.502  0.215  0.583  1.0
  Cr  Cr5  1  0.005  0.902  0.691  1.0
  Cr  Cr6  1  0.995  0.098  0.309  1.0
  Fe  Fe7  1  0.003  0.312  0.888  1.0
  Fe  Fe8  1  0.997  0.688  0.112  1.0
  Fe  Fe9  1  0.500  0.000  0.000  1.0
  O  O10  1  0.238  0.951  0.860  1.0
  O  O11  1  0.770  0.865  0.545  1.0
  O  O12  1  0.767  0.664  0.943  1.0
  O  O13  1  0.249  0.769  0.232  1.0
  O  O14  1  0.231  0.549  0.664  1.0
  O  O15  1  0.769  0.451  0.336  1.0
  O  O16  1  0.751  0.231  0.768  1.0
  O  O17  1  0.233  0.336  0.057  1.0
  O  O18  1  0.230  0.135  0.455  1.0
  O  O19  1  0.762  0.049  0.140  1.0
[/CIF]
.
The compound described by Li5Cr2Fe3O10 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are three 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(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-14°. In the third Li site, Li(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. Cr(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form CrO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-14°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Cr(1), one Fe(2), and two equivalent Fe(1) atoms to form OLi2CrFe3 octahedra that share  a cornercorner with one O(1)Li2CrFe3 octahedra,  a cornercorner with one O(3)Li2CrFe3 octahedra,  a cornercorner with one O(4)Li3CrFe2 octahedra,  a cornercorner with one O(2)Li4Cr2 octahedra, corners with two equivalent O(5)Li4CrFe octahedra,  an edgeedge with one O(1)Li2CrFe3 octahedra, edges with two equivalent O(2)Li4Cr2 octahedra, edges with two equivalent O(5)Li4CrFe octahedra, edges with three equivalent O(4)Li3CrFe2 octahedra, and edges with four equivalent O(3)Li2CrFe3 octahedra. The corner-sharing octahedral tilt angles range from 0-16°. In the second O site, O(2) is bonded to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Cr(1) atoms to form OLi4Cr2 octahedra that share  a cornercorner with one O(1)Li2CrFe3 octahedra,  a cornercorner with one O(4)Li3CrFe2 octahedra,  a cornercorner with one O(2)Li4Cr2 octahedra,  a cornercorner with one O(5)Li4CrFe octahedra, corners with two equivalent O(3)Li2CrFe3 octahedra,  an edgeedge with one O(3)Li2CrFe3 octahedra, edges with two equivalent O(1)Li2CrFe3 octahedra, edges with two equivalent O(2)Li4Cr2 octahedra, edges with three equivalent O(4)Li3CrFe2 octahedra, and edges with four equivalent O(5)Li4CrFe octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the third O site, O(3) is bonded to two equivalent Li(2), one Cr(1), one Fe(2), and two equivalent Fe(1) atoms to form OLi2CrFe3 octahedra that share  a cornercorner with one O(1)Li2CrFe3 octahedra,  a cornercorner with one O(3)Li2CrFe3 octahedra,  a cornercorner with one O(4)Li3CrFe2 octahedra,  a cornercorner with one O(5)Li4CrFe octahedra, corners with two equivalent O(2)Li4Cr2 octahedra,  an edgeedge with one O(2)Li4Cr2 octahedra, edges with two equivalent O(3)Li2CrFe3 octahedra, edges with two equivalent O(5)Li4CrFe octahedra, edges with three equivalent O(4)Li3CrFe2 octahedra, and edges with four equivalent O(1)Li2CrFe3 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Cr(1), one Fe(1), and one Fe(2) atom to form OLi3CrFe2 octahedra that share  a cornercorner with one O(1)Li2CrFe3 octahedra,  a cornercorner with one O(3)Li2CrFe3 octahedra,  a cornercorner with one O(2)Li4Cr2 octahedra,  a cornercorner with one O(5)Li4CrFe octahedra, corners with two equivalent O(4)Li3CrFe2 octahedra, edges with three equivalent O(1)Li2CrFe3 octahedra, edges with three equivalent O(3)Li2CrFe3 octahedra, edges with three equivalent O(2)Li4Cr2 octahedra, and edges with three equivalent O(5)Li4CrFe octahedra. The corner-sharing octahedral tilt angles range from 0-16°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Cr(1), and one Fe(1) atom to form OLi4CrFe octahedra that share  a cornercorner with one O(3)Li2CrFe3 octahedra,  a cornercorner with one O(4)Li3CrFe2 octahedra,  a cornercorner with one O(2)Li4Cr2 octahedra,  a cornercorner with one O(5)Li4CrFe octahedra, corners with two equivalent O(1)Li2CrFe3 octahedra,  an edgeedge with one O(5)Li4CrFe octahedra, edges with two equivalent O(1)Li2CrFe3 octahedra, edges with two equivalent O(3)Li2CrFe3 octahedra, edges with three equivalent O(4)Li3CrFe2 octahedra, and edges with four equivalent O(2)Li4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Cr2Fe3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.132
_cell_length_b   5.140
_cell_length_c   7.909
_cell_angle_alpha   71.520
_cell_angle_beta   71.393
_cell_angle_gamma   80.138
_symmetry_Int_Tables_number   1
_cell_volume   186.958
_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  0.498  0.785  0.417  1.0
  Li  Li1  1  0.514  0.612  0.773  1.0
  Li  Li2  1  0.000  0.500  0.500  1.0
  Li  Li3  1  0.486  0.388  0.227  1.0
  Li  Li4  1  0.502  0.215  0.583  1.0
  Cr  Cr5  1  0.005  0.902  0.691  1.0
  Cr  Cr6  1  0.995  0.098  0.309  1.0
  Fe  Fe7  1  0.003  0.312  0.888  1.0
  Fe  Fe8  1  0.997  0.688  0.112  1.0
  Fe  Fe9  1  0.500  0.000  0.000  1.0
  O  O10  1  0.238  0.951  0.860  1.0
  O  O11  1  0.770  0.865  0.545  1.0
  O  O12  1  0.767  0.664  0.943  1.0
  O  O13  1  0.249  0.769  0.232  1.0
  O  O14  1  0.231  0.549  0.664  1.0
  O  O15  1  0.769  0.451  0.336  1.0
  O  O16  1  0.751  0.231  0.768  1.0
  O  O17  1  0.233  0.336  0.057  1.0
  O  O18  1  0.230  0.135  0.455  1.0
  O  O19  1  0.762  0.049  0.140  1.0
[/CIF]
.