data_1004126
_chemical_name_systematic          'Triammonium indium sulfate(VI)'
_chemical_formula_structural       '(N H4)3 In (S O4)3'
_chemical_formula_sum              'H12 In N3 O12 S3'
_publ_section_title
;
Monoclinic-trigonal transition in some M(I)3 M'(III) (S O4)3 compounds:
The high temperature form of (N H4) In (S O4)3
;
loop_
_publ_author_name
  'Jolibois, B'
  'Laplace, G'
  'Abraham, F'
  'Nowogrocki, G'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    40
_journal_year                      1981
_journal_page_first                69
_journal_page_last                 74
_cell_length_a                     15.531(12)
_cell_length_b                     15.531(12)
_cell_length_c                     9.163(8)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       1914.1
_cell_formula_units_Z              6
_symmetry_space_group_name_H-M     'R 3 c H'
_symmetry_Int_Tables_number        161
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,1/2+z'
  'x,x-y,1/2+z'
  'y-x,y,1/2+z'
  '1/3+x,2/3+y,2/3+z'
  '2/3+x,1/3+y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-y,2/3-x,1/6+z'
  '2/3-y,1/3-x,5/6+z'
  '1/3+x,2/3+x-y,1/6+z'
  '2/3+x,1/3+x-y,5/6+z'
  '1/3-x+y,2/3+y,1/6+z'
  '2/3-x+y,1/3+y,5/6+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  N3-   -3.000
  In3+   3.000
  S6+    6.000
  O2-   -2.000
  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
  N1    N3-   18 b 0.4148(4) -0.0260(4) 0.2761(7) 1.  4 d
  In1   In3+   6 a 0. 0. 0. 1.  0 d
  S1    S6+   18 b 0.1738(1) 0.0261(1) 0.2479(2) 1.  0 d
  O1    O2-   18 b 0.0291(4) 0.1241(4) 0.1367(6) 1.  0 d
  O2    O2-   18 b 0.1282(4) 0.0209(7) 0.3882(6) 1.  0 d
  O3    O2-   18 b 0.2309(5) -0.0224(6) 0.2653(10) 1.  0 d
  O4    O2-   18 b 0.2357(5) 0.1269(5) 0.2038(8) 1.  0 d
  H1    H1+   18 b -1. -1. -1. 4.  0 dum
_refine_ls_R_factor_all            0.023