#------------------------------------------------------------------------------
#$Date: 2012-07-03 16:16:21 +0300 (Tue, 03 Jul 2012) $
#$Revision: 61367 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/50/77/1507764.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_1507764
loop_
_publ_author_name
'Le Bail, A'
'Mercier, A M'
_publ_section_title
;
 Distorted chiolite crystal structures of alpha-Na5M3F14 (M=Cr,Fe,Ga)
 studied by X-ray powder diffraction
;
_journal_name_full
;
Powder Diffraction
;
_journal_page_first              128
_journal_page_last               134
_journal_volume                  18
_journal_year                    2003
_chemical_formula_sum            'F14 Fe3 Na5'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.799(5)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            2
_cell_length_a                   10.4342(7)
_cell_length_b                   7.3418(6)
_cell_length_c                   7.4023(6)
_cell_measurement_temperature    293(2)
_cell_volume                     567.00(8)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      293(2)
_[local]_cod_data_source_file    Na5Fe3F14.cif
_[local]_cod_data_source_block   Na5Fe3F14
_[local]_cod_cif_authors_sg_H-M  'P 21/n'
_cod_database_code               1507764
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x+1/2,-y+1/2,z+1/2
loop_
_atom_site_label
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
_atom_site_occupancy
Na1 4e 0.2540(11) 0.2051(14) 0.2615(20) 1.44(25) 1.0
Na2 4e 0.2613(13) 0.2582(15) 0.7631(24) 2.32(30) 1.0
Na3 2d 0.50000 0.00000 0.00000 6.97(65) 1.0
Fe1 2a 0.00000 0.00000 0.00000 1.17(17) 1.0
Fe2 2b 0.00000 0.00000 0.50000 1.18(17) 1.0
Fe3 2c 0.00000 0.50000 0.00000 0.62(16) 1.0
F1 4e 0.9542(11) 0.2517(20) 0.9485(19) 1.07(37) 1.0
F2 4e 0.0049(15) 0.0652(20) 0.2420(23) 3.33(47) 1.0
F3 4e 0.1712(9) 0.0556(22) 0.9957(20) 4.27(47) 1.0
F4 4e 0.3841(17) -0.0046(19) 0.6870(22) 1.93(38) 1.0
F5 4e 0.1101(13) 0.7937(20) 0.4617(22) 2.12(38) 1.0
F6 4e 0.6261(14) 0.0696(22) 0.6700(20) 2.21(40) 1.0
F7 4e 0.3595(13) 0.6673(21) 0.9766(22) 1.29(43) 1.0