data_1000433
_chemical_name_systematic          'Lithium iron tin oxide (1.417/.75/1.083/4)'
_chemical_name_mineral             '(Ramsdellite group)'
_chemical_formula_structural       'Li1.417 Fe.75 Sn1.083 O4'
_chemical_formula_sum              'Fe.75 Li1.417 O4 Sn1.083'
_publ_section_title
;
Neutron diffraction study of Li1+x (Li2x/3 Fe1-x Sn1+x/3) O4, a
nonstoichiometric ramsdellite and its transition to a double hexagonal
close packed structure for x = 0
;
loop_
_publ_author_name
  'Lacorre, P'
  'Hervieu, M'
  'Pannetier, J'
  'Choisnet, J'
  'Raveau, B'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    50
_journal_year                      1983
_journal_page_first                196
_journal_page_last                 203
_cell_length_a                     3.074(1)
_cell_length_b                     5.116(5)
_cell_length_c                     9.881(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       155.4
_cell_formula_units_Z              2
_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
  Sn4+   4.000
  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 0.907(6) 0.423(2) 0.625  0 d
  Li2   Li1+   4 c 0.25 0.9663(10) 0.1362(6) 0.083  0 d
  Fe1   Fe3+   4 c 0.25 0.9663(10) 0.1362(6) 0.375  0 d
  Sn1   Sn4+   4 c 0.25 0.9663(10) 0.1362(6) 0.542  0 d
  O1    O2-    4 c 0.25 0.6602(14) 0.2704(6) 1.  0 d
  O2    O2-    4 c 0.25 0.2154(14) -0.0347(9) 1.  0 d
_refine_ls_R_factor_all            0.043