#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/19/1521929.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_1521929
loop_
_publ_author_name
'Sieke, C.'
'Schleid, T.'
_publ_section_title
;
 Sm4 S3 (Si2 O7) und Na Sm9 S2 (Si O4)6 : zwei Sulfidsilicate mit
 dreiwertigem Samarium
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              131
_journal_page_last               136
_journal_volume                  625
_journal_year                    1999
_chemical_formula_sum            'Na O24 S2 Si6 Sm9'
_chemical_name_systematic        'Na Sm9 S2 (Si O4)6'
_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                   9.7532
_cell_length_b                   9.7532
_cell_length_c                   6.7646
_cell_volume                     557.272
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Sieke_ZAACAB_1999_797.cif
_cod_data_source_block           Na1O24S2Si6Sm9
_cod_original_cell_volume        557.2717
_cod_original_formula_sum        'Na1 O24 S2 Si6 Sm9'
_cod_database_code               1521929
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
O3 O-2 0.3579 0.2634 0.059 1 0.0
Na1 Na+1 0.3333 0.6667 0.00353 0.244 0.0
Sm2 Sm+3 0.25002 0.00654 0.25 1 0.0
S1 S-2 0 0 0 1 0.0
Sm1 Sm+3 0.3333 0.6667 0.00353 0.756 0.0
O1 O-2 0.3385 0.4956 0.25 1 0.0
O2 O-2 0.6031 0.4756 0.25 1 0.0
Si1 Si+4 0.4104 0.3809 0.25 1 0.0
