#------------------------------------------------------------------------------
#$Date: 2016-02-14 14:26:36 +0000 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/00/1500042.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_1500042
loop_
_publ_author_name
'Abbattista, F'
'Mazza, D'
'Vallino, M'
_publ_section_title
;
 New Phase with K2 Ni F4 Structure in the La-Li-Fe-O System
;
_journal_coden_ASTM              MRBUA
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              393
_journal_page_last               398
_journal_paper_doi               10.1016/0025-5408(85)90006-6
_journal_volume                  20
_journal_year                    1985
_chemical_formula_structural     'La1.75 Li0.75 Fe0.5 O3.92'
_chemical_formula_sum            'Fe0.5 La1.75 Li0.75 O3.92'
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.765(1)
_cell_length_b                   3.765(1)
_cell_length_c                   12.918(10)
_cell_volume                     183.12(16)
_refine_ls_R_factor_all          0.061
_cod_data_source_file            La175Li075Fe05O.cif
_cod_data_source_block           0000000
_cod_original_cell_volume        183.1
_cod_original_formula_sum        'La1.75 Li0.75 Fe0.5 O3.92'
_cod_database_code               1500042
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,y,z
x,-y,z
-y,x,z
y,-x,z
y,x,z
-y,-x,z
-x,-y,-z
x,y,-z
x,-y,-z
-x,y,-z
y,-x,-z
-y,x,-z
-y,-x,-z
y,x,-z
1/2+x,1/2+y,1/2+z
1/2-x,1/2-y,1/2+z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2+z
1/2-y,1/2+x,1/2+z
1/2+y,1/2-x,1/2+z
1/2+y,1/2+x,1/2+z
1/2-y,1/2-x,1/2+z
1/2-x,1/2-y,1/2-z
1/2+x,1/2+y,1/2-z
1/2+x,1/2-y,1/2-z
1/2-x,1/2+y,1/2-z
1/2+y,1/2-x,1/2-z
1/2-y,1/2+x,1/2-z
1/2-y,1/2-x,1/2-z
1/2+y,1/2+x,1/2-z
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_U_iso_or_equiv
La La3+ 4 e 0 0 0.362 0.875 0.40
Li Li+ 4 e 0 0 0.362 0.125 2.50
Fe Fe3+ 2 a 0 0 0 0.5 3.30
Li Li+ 2 a 0 0 0 0.5 0.10
O O2- 4 c 0.5 0 0 1.0 0.10
O O2- 4 e 0 0 0.184 0.96 0.10
loop_
_atom_type_symbol
_atom_type_oxidation_number
Fe3+ 3.000
O2- -2.000