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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/1/52/75/1527565.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_1527565
loop_
_publ_author_name
'Iglesias, J.E.'
'Steinfink, H.'
_publ_section_title
;
 Ternary chalcogenide compounds A B2 X4: The crystal structures of Si Pb2
 S4 and Si Pb2 Se4
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              93
_journal_page_last               98
_journal_volume                  6
_journal_year                    1973
_chemical_formula_sum            'Pb2 S4 Si'
_chemical_name_systematic        'Pb2 (Si S4)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.805
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.4721
_cell_length_b                   6.6344
_cell_length_c                   16.832
_cell_volume                     684.162
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Iglesias_JSSCBI_1973_1990.cif
_cod_data_source_block           Pb2S4Si1
_cod_original_cell_volume        684.1617
_cod_original_formula_sum        'Pb2 S4 Si1'
_cod_database_code               1527565
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
S4 S-2 0.6221 0.2398 0.4773 1 0.0
Pb2 Pb+2 0.2631 0.3117 0.2854 1 0.0
S2 S-2 -0.0008 0.0014 0.3612 1 0.0
S1 S-2 0.0052 -0.0007 0.1355 1 0.0
S3 S-2 0.5791 0.2279 0.1768 1 0.0
Si1 Si+4 0.7939 0.2483 0.1064 1 0.0
Pb1 Pb+2 0.2363 0.2494 0.0223 1 0.0
