data_1000180
_chemical_name_systematic          'Trilithium iron(III) antimonate'
_chemical_formula_structural       'Li3 Fe Sb2 O8'
_chemical_formula_sum              'Fe Li3 O8 Sb2'
_publ_section_title
;
Existence de la Structure Triramsdellite: Li~3~ Fe Sb~2~ O~8~
;
loop_
_publ_author_name
  'Lacorre, P'
  'Hervieu, M'
  'Raveau, B'
_journal_name_full                 'Materials Research Bulletin'
_journal_coden_ASTM                MRBUAC
_journal_volume                    19
_journal_year                      1984
_journal_page_first                693
_journal_page_last                 699
_cell_length_a                     9.017(4)
_cell_length_b                     5.013(2)
_cell_length_c                     9.841(4)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       444.8
_cell_formula_units_Z              3
_symmetry_space_group_name_H-M     'P m c n'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,1/2-y,1/2+z'
  '1/2+x,-y,-z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,y,z'
  'x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Li1+   1.000
  Fe3+   3.000
  Sb5+   5.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Li1   Li1+   4 c 0.25 0.36 0.09 0.5  0 d
  Li2   Li1+   8 d 0.10(2) 0.57(3) 0.08(1) 0.5  0 d
  Li3   Li1+   4 c 0.25 -0.067(6) 0.858(3) 0.75  0 d
  Fe1   Fe3+   4 c 0.25 -0.067(6) 0.858(3) 0.25  0 d
  Fe2   Fe3+   8 d 0.0829(4) -0.033(1) 0.1371(4) 0.25  0 d
  Sb1   Sb5+   8 d 0.0829(4) -0.033(1) 0.1371(4) 0.75  0 d
  O1    O2-    4 c 0.25 0.210(5) 0.260(3) 1.  0 d
  O2    O2-    4 c 0.25 0.739(4) 0.069(4) 1.  0 d
  O3    O2-    8 d 0.056(4) 0.709(4) 0.276(2) 1.  0 d
  O4    O2-    8 d 0.103(4) 0.200(3) -0.042(2) 1.  0 d
_refine_ls_R_factor_all            0.065