#------------------------------------------------------------------------------
#$Date: 2010-01-30 14:59:17 +0100 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/1/1001219.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_1001219
_chemical_name_systematic
;
Lithium iron(III) tin(IV) oxide - high-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                     3.066(1)
_cell_length_b                     5.066(1)
_cell_length_c                     9.874(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       153.4
_cell_formula_units_Z              2
_exptl_crystal_density_meas        5.32
_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 0.86(1) 0.44(1) 0.25  0 d
  Li2   Li1+   4 c 0.25 0.97(1) 0.57(1) 0.25  0 d
  Fe1   Fe3+   4 c 0.25 0.981(2) 0.1418(4) 0.5  0 d
  Sn1   Sn4+   4 c 0.25 0.981(2) 0.1418(4) 0.5  0 d
  O1    O2-    4 c 0.25 0.687(4) 0.284(2) 1.  0 d
  O2    O2-    4 c 0.25 0.212(2) -0.040(2) 1.  0 d
_refine_ls_R_factor_all            0.055
_cod_database_code 1001219