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#$Date: 2025-08-18 17:14:33 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301778 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/66/1536641.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_1536641
loop_
_publ_author_name
'Pocha, R.'
'Hoffmann, R.D.'
'Tampier, M.'
'Mosel, B.D.'
'Poettgen, R.'
'Johrendt, D.'
_publ_section_title
;
 Crystal structures and properties of the thiostannates Eu2 Sn S4 and Sr2
 Sn S4 and the selenogermanate gamma-(Sr2 Ge Se4)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1379
_journal_page_last               1384
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'S4 Sn Sr2'
_chemical_name_systematic        'Sr2 (Sn S4)'
_space_group_IT_number           40
_symmetry_space_group_name_Hall  'A 2 -2a'
_symmetry_space_group_name_H-M   'A m a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.977
_cell_length_b                   10.311
_cell_length_c                   7.2432
_cell_volume                     745.129
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Pocha_ZAACAB_2003_985.cif
_cod_data_source_block           S4Sn1Sr2
_cod_original_cell_volume        745.1286
_cod_original_formula_sum        'S4 Sn1 Sr2'
_cod_database_code               1536641
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x+1/2,y,z
x+1/2,-y,z
x,y+1/2,z+1/2
-x,-y+1/2,z+1/2
-x+1/2,y+1/2,z+1/2
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
Sr2 Sr+2 0 0 0.20747 1 0.0
Sr1 Sr+2 0.25 0.18924 -0.33138 1 0.0
Sn1 Sn+4 0.25 0.2765 0.18044 1 0.0
S3 S-2 0.0562 0.27354 0.3721 1 0.0
S2 S-2 0.25 0.4378 -0.053 1 0.0
S1 S-2 0.25 0.0707 0.0229 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139047250
