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#$Date: 2015-09-17 22:44:25 +0300 (Thu, 17 Sep 2015) $
#$Revision: 156779 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/13/1531343.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_1531343
loop_
_publ_author_name
'El Belghiti, A.A.'
'Simon, A.'
'Gravereau, P.'
'Villesuzanne, A.'
'Elaatmani, M.'
'Ravez, J.'
_publ_section_title
;
 Ferroelectric and crystallographic properties of the Sr2-x K1+x Nb5O15-x
 Fx solid solution
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              933
_journal_page_last               940
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'F0.25 K1.25 Nb5 O14.75 Sr1.75'
_chemical_name_systematic        'Sr (Sr0.75 K1.25) Nb5 (O14.75 F0.25)'
_space_group_IT_number           127
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.4936
_cell_length_b                   12.4936
_cell_length_c                   3.9404
_cell_volume                     615.057
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            ElBelghiti_SSSCFJ_2002_946.cif
_cod_data_source_block           F0.25K1.25Nb5O14.75Sr1.75
_cod_original_cell_volume        615.0572
_cod_database_code               1531343
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x+1/2,-y+1/2,-z
y+1/2,x+1/2,-z
-x+1/2,y+1/2,-z
-y+1/2,-x+1/2,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x-1/2,y-1/2,z
-y-1/2,-x-1/2,z
x-1/2,-y-1/2,z
y-1/2,x-1/2,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
F1 F-1 0.137 0.065 0.5 0.0167 0.0
Nb2 Nb+5 0.0758 0.2131 0.5 1 0.0
F3 F-1 0.073 0.204 0 0.0167 0.0
F2 F-1 0.34 0.004 0.5 0.0167 0.0
Nb1 Nb+5 0 0.5 0.5 1 0.0
Sr1 Sr+2 0 0 0 1 0.0
K1 K+1 0.171 0.671 0 0.625 0.0
F5 F-1 0 0.5 0 0.0167 0.0
Sr2 Sr+2 0.171 0.671 0 0.375 0.0
O2 O-2 0.34 0.004 0.5 0.9833 0.0
O1 O-2 0.137 0.065 0.5 0.9833 0.0
O5 O-2 0 0.5 0 0.9833 0.0
F4 F-1 0.284 0.784 0.5 0.0167 0.0
O3 O-2 0.073 0.204 0 0.9833 0.0
O4 O-2 0.284 0.784 0.5 0.9833 0.0