#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/56/9015641.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9015641
loop_
_publ_author_name
'Belougne, P.'
'Chezeau, N.'
'Lapasset, J.'
_publ_section_title
;
 Nouvel affinement de la structure cristalline du thiomolybdate d'ammonium
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3087
_journal_page_last               3088
_journal_paper_doi               10.1107/S056774087600959X
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'Mo N2 S4'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.57
_cell_length_b                   6.99
_cell_length_c                   12.20
_cell_formula_units_Z            4
_cell_volume                     816.110
_database_code_amcsd             0009578
_exptl_crystal_density_diffrn    2.053
_cod_duplicate_entry             1004019
_cod_original_formula_sum        'Mo S4 N2'
_cod_database_code               9015641
_amcsd_formula_title             'H8 Mo N2 S4'
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
Mo1 0.25170 0.25000 0.07290 0
S1 0.34970 -0.00260 0.14350 0
S2 0.28490 0.25000 0.89690 0
S3 0.02850 0.25000 0.10980 0
N1 0.66170 0.25000 0.10780 4
N2 0.45610 0.25000 0.66390 4
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009578
