#------------------------------------------------------------------------------
#$Date: 2010-01-30 14:59:17 +0100 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/1/1001220.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1001220
_chemical_name_systematic
;
Lithium iron(III) tin(IV) oxide - low-temperature phase
;
_chemical_formula_structural       'Li Fe Sn O4'
_chemical_formula_sum              'Fe Li O4 Sn'
_publ_section_title
;
Two Polymorphous Lithium Stannoferrites Li Fe Sn O~4~: A Ramsdellite-
Type and a Hexagonal Close-Packed Structure
;
loop_
_publ_author_name
  'Choisnet, J'
  'Hervieu, M'
  'Raveau, B'
  'Tarte, P'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    40
_journal_year                      1981
_journal_page_first                344
_journal_page_last                 351
_cell_length_a                     6.012(1)
_cell_length_b                     6.012(1)
_cell_length_c                     9.776(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       306.0
_cell_formula_units_Z              4
_exptl_crystal_density_meas        5.29
_symmetry_space_group_name_H-M     'P 63 m c'
_symmetry_Int_Tables_number        186
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,z'
  'y-x,y,z'
  'x,x-y,z'
  '-x,-y,1/2+z'
  'y,y-x,1/2+z'
  'x-y,x,1/2+z'
  'y,x,1/2+z'
  'x-y,-y,1/2+z'
  '-x,y-x,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Sn4+   4.000
  Li1+   1.000
  Fe3+   3.000
  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
  Sn1   Sn4+   2 b 0.3333 0.6667 0.497(1) 1.  0 d
  Li1   Li1+   6 c 0.167(1) -0.167(1) 0.214(2) 0.146  0 d
  Fe1   Fe3+   6 c 0.167(1) -0.167(1) 0.214(2) 0.52  0 d
  Sn2   Sn4+   6 c 0.167(1) -0.167(1) 0.214(2) 0.333  0 d
  Li2   Li1+   2 b 0.3333 0.6667 -0.082(6) 0.56  0 d
  Fe2   Fe3+   2 b 0.3333 0.6667 -0.082(6) 0.44  0 d
  Li3   Li1+   2 a 0. 0. 0.51(1) 1.  0 d
  O1    O2-    2 a 0. 0. 0.325(5) 1.  0 d
  O2    O2-    2 b 0.3333 0.6667 0.107(3) 1.  0 d
  O3    O2-    6 c 0.481(2) -0.481(2) 0.342(3) 1.  0 d
  O4    O2-    6 c 0.160(6) -0.160(6) 0.612(3) 1.  0 d
_refine_ls_R_factor_all            0.059
_cod_database_code 1001220