#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/21/7222157.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_7222157
loop_
_publ_author_name
'Aikens, L.D.'
'Gillie, L.J.'
'Li, R.-K.'
'Greaves, C.'
_publ_section_title
;
 Staged fluorine insertion into manganese oxides with Ruddlesden- Popper
 structures: La Sr Mn O4 F and La1.2 Sr1.8 Mn2 O7 F
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              264
_journal_page_last               267
_journal_volume                  12
_journal_year                    2002
_chemical_formula_sum            'F La Mn O4 Sr'
_chemical_name_systematic        'La Sr (Mn O4) F'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.77696
_cell_length_b                   3.77696
_cell_length_c                   14.1026
_cell_volume                     201.180
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Aikens_JMACEP_2002_612.cif
_cod_data_source_block           F1La1Mn1O4Sr1
_cod_original_cell_volume        201.1796
_cod_original_formula_sum        'F1 La1 Mn1 O4 Sr1'
_cod_database_code               7222157
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x,z
-x+1/2,-y+1/2,z
y,-x+1/2,z
x+1/2,-y,-z
y+1/2,x+1/2,-z
-x,y+1/2,-z
-y,-x,-z
-x,-y,-z
y-1/2,-x,-z
x-1/2,y-1/2,-z
-y,x-1/2,-z
-x-1/2,y,z
-y-1/2,-x-1/2,z
x,-y-1/2,z
y,x,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O2 O-2 0.75 0.75 0.0764 1 0.0
La1 La+3 0.25 0.25 0.09857 0.5 0.0
O1 O-2 0.75 0.25 0.22103 1 0.0
Sr1 Sr+2 0.25 0.25 0.09857 0.5 0.0
Sr2 Sr+2 0.25 0.25 0.38277 0.5 0.0
O3 O-2 0.75 0.75 0.3546 1 0.0
La2 La+3 0.25 0.25 0.38277 0.5 0.0
Mn1 Mn+4 0.75 0.75 0.2287 1 0.0
F1 F-1 0.75 0.25 0.5 1 0.0
