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#$Date: 2016-01-09 13:32:43 +0100 (Sat 09 de Jan de 2016) $
#$Revision: 174096 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/44/8104467.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_8104467
loop_
_publ_author_name
'von Schnering, H.G.'
'Goh, N.K.'
'Peters, K.'
_publ_section_title
;
 Crystal structure of diammoniumpentasulfide (N H4)2 S5
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              153
_journal_page_last               158
_journal_volume                  172
_journal_year                    1985
_chemical_formula_sum            'H8 N2 S5'
_chemical_name_systematic        '(N H4)2 S5'
_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                 105.31
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.427
_cell_length_b                   16.225
_cell_length_c                   9.43
_cell_volume                     800.873
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            vonSchnering_ZEKRDZ_1985_1988.cif
_cod_data_source_block           H8N2S5
_cod_original_cell_volume        800.8729
_cod_database_code               8104467
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
N2 N-3 0.74093 0.16781 0.0948 1 0.0
S4 S 0.1101 0.31832 0.33059 1 0.0
H3 H+1 0.547 0.459 0.271 1 0.0
H7 H+1 0.733 0.218 0.054 1 0.0
H8 H+1 0.875 0.141 0.082 1 0.0
S1 S 0.67606 0.14556 0.43171 1 0.0
S5 S 0.22656 0.43072 0.42631 1 0.0
S2 S 0.05314 0.10985 0.49565 1 0.0
H2 H+1 0.413 0.03 0.329 1 0.0
H5 H+1 0.741 0.173 0.198 1 0.0
H6 H+1 0.611 0.137 0.047 1 0.0
N1 N-3 0.64761 0.4756 0.21725 1 0.0
H1 H+1 0.636 0.443 0.144 1 0.0
S3 S 0.24602 0.30464 0.1483 1 0.0
H4 H+1 0.804 0.48 0.279 1 0.0
