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#$Date: 2018-02-05 10:45:30 +0200 (Mon, 05 Feb 2018) $
#$Revision: 206178 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/82/1528279.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_1528279
loop_
_publ_author_name
'Knakkergaard Moeller, C.'
_publ_section_title
;
 The structure of Pb (N H4)2 (S O4)2 and related compounds
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              81
_journal_page_last               87
_journal_volume                  8
_journal_year                    1954
_chemical_formula_sum            'H8 N2 O8 Pb S2'
_chemical_name_systematic        '(N H4)2 Pb (S O4)2'
_space_group_IT_number           ?
_symmetry_space_group_name_Hall  ?
_symmetry_space_group_name_H-M   ?
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.58
_cell_length_b                   5.58
_cell_length_c                   21.84
_cell_volume                     588.914
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            KnakkergaardMoeller_ACSAA4_1954_1723.cif
_cod_data_source_block           H8N2O8Pb1S2
_cod_original_cell_volume        588.9137
_cod_original_sg_symbol_Hall     '-R 3 2"'
_cod_original_sg_symbol_H-M      'R -3 m :H '
_cod_original_formula_sum        'H8 N2 O8 Pb1 S2'
_cod_database_code               1528279
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-01-05
;
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+1/3,y+2/3,z+1/3
-y+1/3,x-y+2/3,z+1/3
-x+y+1/3,-x+2/3,z+1/3
y+1/3,x+2/3,-z+1/3
-x+1/3,-x+y+2/3,-z+1/3
x-y+1/3,-y+2/3,-z+1/3
-x+1/3,-y+2/3,-z+1/3
y+1/3,-x+y+2/3,-z+1/3
x-y+1/3,x+2/3,-z+1/3
-y+1/3,-x+2/3,z+1/3
x+1/3,x-y+2/3,z+1/3
-x+y+1/3,y+2/3,z+1/3
x+2/3,y+1/3,z+2/3
-y+2/3,x-y+1/3,z+2/3
-x+y+2/3,-x+1/3,z+2/3
y+2/3,x+1/3,-z+2/3
-x+2/3,-x+y+1/3,-z+2/3
x-y+2/3,-y+1/3,-z+2/3
-x+2/3,-y+1/3,-z+2/3
y+2/3,-x+y+1/3,-z+2/3
x-y+2/3,x+1/3,-z+2/3
-y+2/3,-x+1/3,z+2/3
x+2/3,x-y+1/3,z+2/3
-x+y+2/3,y+1/3,z+2/3
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_attached_hydrogens
_atom_site_U_iso_or_equiv
Pb1 Pb+2 0 0 0 1 0 0.0
S1 S+6 0 0 0.394 1 0 0.0
N1 N-3 0 0 0.2 1 4 0.0
O1 O-2 0 0 0.325 1 0 0.0
O2 O-2 0.82 -0.82 0.083 1 0 0.0
