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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/22/1532275.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_1532275
loop_
_publ_author_name
'Toumi, M.'
'Smiri-Dogguy, L.'
'Bulou, A.'
_publ_section_title
;
 Structure cristalline et spectres Raman polarises de Na1.5 Sm8.5 (Si O4)6
 F O
;
_journal_name_full               'Annales de Chimie (Paris)'
_journal_page_first              17
_journal_page_last               26
_journal_volume                  27
_journal_year                    2002
_chemical_formula_sum            'F Na1.5 O25 Si6 Sm8.5'
_chemical_name_systematic        '(Na1.5 Sm8.5) (Si O4)6 F O'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   9.4761
_cell_length_b                   9.4761
_cell_length_c                   6.9484
_cell_volume                     540.349
_citation_journal_id_ASTM        ANCPAC
_cod_data_source_file            Toumi_ANCPAC_2002_1894.cif
_cod_data_source_block           F1Na1.5O25Si6Sm8.5
_cod_original_cell_volume        540.3494
_cod_original_formula_sum        'F1 Na1.5 O25 Si6 Sm8.5'
_cod_database_code               1532275
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-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
Si1 Si+4 0.602 0.6296 0.75 1 0.0
O3 O-2 0.121 0.5943 0.75 1 0.0
O1 O-2 0 0 0.25 0.5 0.0
Sm1 Sm+3 0.6667 0.3333 0.0004 0.667 0.0
Na2 Na+1 0.75357 0.76411 0.25 0.028 0.0
Na1 Na+1 0.6667 0.3333 0.0004 0.333 0.0
O4 O-2 0.337 0.2488 0.0663 1 0.0
Sm2 Sm+3 0.75357 0.76411 0.25 0.972 0.0
F1 F-1 0 0 0.25 0.5 0.0
O2 O-2 0.4842 0.168 0.75 1 0.0
