#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/23/4002315.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_4002315
loop_
_publ_author_name
'Choy, J.-H.'
'Kim, S.-J.'
'Kim, J.-Y.'
'Sohn, J.-S.'
_publ_section_title
;
 New Dion-Jacobson-type layered perovskite oxyfluorides, A Sr Nb2 O6 F (A
 = Li, Na and Rb)
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              906
_journal_page_last               912
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum            'F Li0.9 Nb2 O6 Sr'
_chemical_name_systematic        'Li0.9 Sr (Nb2 O6 F)'
_space_group_IT_number           139
_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                   3.8304
_cell_length_b                   3.8304
_cell_length_c                   20.837
_cell_volume                     305.720
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Choy_CMATEX_2001_964.cif
_cod_data_source_block           F1Li0.9Nb2O6Sr1
_cod_original_cell_volume        305.7197
_cod_original_formula_sum        'F1 Li0.9 Nb2 O6 Sr1'
_cod_database_code               4002315
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+1/2,z+1/2
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
F2 F-1 0 0.5 0.095 0.2 0.0
Nb1 Nb+5 0 0 0.385 1 0.0
F1 F-1 0 0 0.5 0.2 0.0
O1 O-2 0 0 0.5 0.8 0.0
Li1 Li+1 0 0.5 0.25 0.45 0.0
Sr1 Sr+2 0 0 0 1 0.0
O2 O-2 0 0.5 0.095 0.8 0.0
O3 O-2 0 0 0.298 1 0.0
