data_Li5Cr2Fe3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.14
_cell_length_c   7.91
_cell_angle_alpha   71.52
_cell_angle_beta   71.39
_cell_angle_gamma   80.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Cr2Fe3O10
_chemical_formula_sum   'Li5 Cr2 Fe3 O10'
_cell_volume   186.96
_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  0.12  0.37  0.59  1.0
  Li  Li1  1  0.42  0.14  0.96  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Li  Li3  1  0.11  0.03  0.23  1.0
  Li  Li4  1  0.41  0.8  0.6  1.0
  Cr  Cr5  1  0.86  0.44  0.37  1.0
  Cr  Cr6  1  0.67  0.73  0.82  1.0
  Fe  Fe7  1  0.71  0.93  0.79  1.0
  Fe  Fe8  1  0.83  0.24  0.4  1.0
  Fe  Fe9  1  0.27  0.58  0.6  1.0
  O  O10  1  0.53  0.04  0.59  1.0
  O  O11  1  0.39  0.94  0.33  1.0
  O  O12  1  0.2  0.76  0.19  1.0
  O  O13  1  0.36  0.9  0.27  1.0
  O  O14  1  0.64  0.59  0.18  1.0
  O  O15  1  0.89  0.58  0.01  1.0
  O  O16  1  0.17  0.27  0.93  1.0
  O  O17  1  0.34  0.41  0.01  1.0
  O  O18  1  0.15  0.23  0.87  1.0
  O  O19  1  0.01  0.13  0.6  1.0

data_Li5Cr2Fe3O10
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.13
_cell_length_b   5.14
_cell_length_c   7.91
_cell_angle_alpha   71.52
_cell_angle_beta   71.39
_cell_angle_gamma   80.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Cr2Fe3O10
_chemical_formula_sum   'Li5 Cr2 Fe3 O10'
_cell_volume   186.96
_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  0.0  0.0  0.0  1.0
  Li  Li1  1  0.11  0.03  0.23  1.0
  Li  Li2  1  0.12  0.37  0.59  1.0
  Li  Li3  1  0.41  0.8  0.6  1.0
  Li  Li4  1  0.42  0.14  0.96  1.0
  Cr  Cr5  1  0.67  0.73  0.82  1.0
  Cr  Cr6  1  0.86  0.44  0.37  1.0
  Fe  Fe7  1  0.27  0.58  0.6  1.0
  Fe  Fe8  1  0.71  0.93  0.79  1.0
  Fe  Fe9  1  0.83  0.24  0.4  1.0
  O  O10  1  0.01  0.13  0.6  1.0
  O  O11  1  0.15  0.23  0.87  1.0
  O  O12  1  0.17  0.27  0.93  1.0
  O  O13  1  0.2  0.76  0.19  1.0
  O  O14  1  0.34  0.41  0.01  1.0
  O  O15  1  0.36  0.9  0.27  1.0
  O  O16  1  0.39  0.94  0.33  1.0
  O  O17  1  0.53  0.04  0.59  1.0
  O  O18  1  0.64  0.59  0.18  1.0
  O  O19  1  0.89  0.58  0.01  1.0

Li Li Li Li Li Cr Cr Fe Fe Fe O O O O O O O O O O
Li Li Li Li Li Cr Cr Fe Fe Fe O O O O O O O O O O 0 19 o o o 0 9 o o o 1 16 o o o 1 17 o o + 2 18 o o - 2 16 o o - 3 12 o - o 3 13 o - o 4 9 o o o 4 10 o + o 5 8 o o o 6 7 o o o 11 13 o o o 12 13 o o o 14 15 o o o 16 18 o o o 16 17 o o + 
Li5Cr2Fe3O10 crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one Fe(3), one O(10), and one O(9) atom. The Li(1)-Fe(3) bond length is 1.44 Å. The Li(1)-O(10) bond length is 1.45 Å. The Li(1)-O(9) bond length is 2.10 Å. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one Fe(1), one O(7), and one O(8) atom. The Li(2)-Fe(1) bond length is 2.10 Å. The Li(2)-O(7) bond length is 1.41 Å. The Li(2)-O(8) bond length is 1.45 Å. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(3), one O(6), one O(7), and one O(9) atom. The Li(3)-O(3) bond length is 2.02 Å. The Li(3)-O(6) bond length is 2.31 Å. The Li(3)-O(7) bond length is 1.60 Å. The Li(3)-O(9) bond length is 1.44 Å. In the fourth Li site, Li(4) is bonded in a 2-coordinate geometry to one Fe(2), one O(3), and one O(4) atom. The Li(4)-Fe(2) bond length is 2.10 Å. The Li(4)-O(3) bond length is 1.45 Å. The Li(4)-O(4) bond length is 1.41 Å. In the fifth Li site, Li(5) is bonded in a 2-coordinate geometry to one Fe(3), one O(1), and one O(2) atom. The Li(5)-Fe(3) bond length is 1.44 Å. The Li(5)-O(1) bond length is 1.45 Å. The Li(5)-O(2) bond length is 2.10 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 3-coordinate geometry to one Fe(2), one O(3), and one O(5) atom. The Cr(1)-Fe(2) bond length is 0.99 Å. The Cr(1)-O(3) bond length is 2.40 Å. The Cr(1)-O(5) bond length is 2.05 Å. In the second Cr site, Cr(2) is bonded in a 3-coordinate geometry to one Fe(1), one O(6), and one O(8) atom. The Cr(2)-Fe(1) bond length is 0.99 Å. The Cr(2)-O(6) bond length is 2.05 Å. The Cr(2)-O(8) bond length is 2.40 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one Li(2), one Cr(2), one O(1), and one O(10) atom. The Fe(1)-O(1) bond length is 1.93 Å. The Fe(1)-O(10) bond length is 1.93 Å. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to one Li(4), one Cr(1), one O(1), and one O(10) atom. The Fe(2)-O(1) bond length is 1.93 Å. The Fe(2)-O(10) bond length is 1.93 Å. In the third Fe site, Fe(3) is bonded in a distorted linear geometry to one Li(1) and one Li(5) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Li(5), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Li(5) and one O(4) atom. The O(2)-O(4) bond length is 0.62 Å. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Li(3), one Li(4), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(4) and one O(2) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Cr(1) and one O(6) atom. The O(5)-O(6) bond length is 1.55 Å. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(3), one Cr(2), and one O(5) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Li(2), one Li(3), and one O(9) atom. The O(7)-O(9) bond length is 0.62 Å. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Li(2) and one Cr(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), and one O(7) atom. In the tenth O site, O(10) is bonded in a 1-coordinate geometry to one Li(1), one Fe(1), and one Fe(2) atom.