data_1004019
_chemical_name_systematic          'AMMONIUM TETRATHIOMOLYBDATE'
_chemical_formula_structural       '(N H4)2 MO S4'
_chemical_formula_sum              'H8 Mo N2 S4'
_publ_section_title
;
Nouvel affinement de la structure cristalline du thiomolybdate
d'ammonium
;
loop_
_publ_author_name
  'Belougne, P'
  'Chezeau, N'
  'Lapasset, J'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    32
_journal_year                      1976
_journal_page_first                3087
_journal_page_last                 3088
_cell_length_a                     9.57(1)
_cell_length_b                     6.99(1)
_cell_length_c                     12.20(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       816.1
_cell_formula_units_Z              4
_exptl_crystal_density_meas        2.13
_symmetry_space_group_name_H-M     'P n m a'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2-z'
  '-x,1/2+y,-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2+z'
  'x,1/2-y,z'
  '1/2+x,y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Mo6+   6.000
  S2-   -2.000
  N3-   -3.000
  H1+    1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Mo1   Mo6+   4 c 0.2517(2) 0.25 0.0729(1) 1.  0 d
  S1    S2-    8 d 0.3497(4) -0.0026(6) 0.1435(3) 1.  0 d
  S2    S2-    4 c 0.2849(5) 0.25 0.8969(4) 1.  0 d
  S3    S2-    4 c 0.0285(5) 0.25 0.1098(4) 1.  0 d
  N1    N3-    4 c 0.6617(18) 0.25 0.1078(4) 1.  4 d
  N2    N3-    4 c 0.4561(19) 0.25 0.6639(13) 1.  4 d
  H1    H1+    8 d -1. -1. -1. 4.  0 dum
_refine_ls_R_factor_all            0.067