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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/51/1535129.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_1535129
loop_
_publ_author_name
'Hatscher, S.T.'
'Urland, W.'
_publ_section_title
;
 Synthese und Kristallstrukturen von Bromid-Thiosilicaten Ln3 Br (Si S4)2
 der Lanthanide (Ln = La, Ce, Pr, Nd, Sm, Gd)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              608
_journal_page_last               611
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Br Gd3 S8 Si2'
_chemical_name_systematic        'Gd3 Br (Si S4)2'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.26
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.565
_cell_length_b                   7.508
_cell_length_c                   10.745
_cell_volume                     1239.319
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Hatscher_ZAACAB_2002_309.cif
_cod_data_source_block           Br1Gd3S8Si2
_cod_original_formula_sum        'Br1 Gd3 S8 Si2'
_cod_database_code               1535129
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+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
Br1 Br-1 0 0.98479 0.25 1 0.0
S2 S-2 0.28334 0.56614 0.08697 1 0.0
S3 S-2 0.06643 0.66728 0.03503 1 0.0
Gd2 Gd+3 0.5 0.12855 0.75 1 0.0
Si1 Si+4 0.1571 0.46284 0.02399 1 0.0
S1 S-2 0.14214 0.24401 0.14015 1 0.0
Gd1 Gd+3 0.19863 0.12342 0.68039 1 0.0
S4 S-2 0.14495 0.4044 -0.16966 1 0.0
