#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://puma.ibt.lt/cod/cif/1/1101113.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_1101113
_journal_name_full  'Unpublished'
loop_
_publ_author_name
'Richard L. Harlow and John M.Novak'
_chemical_name_common  'Iron Ammonium Sulfate'
_chemical_formula_moiety  'Fe(NH4)(SO4)2'
_chemical_formula_structural  'Fe(NH4)(SO4)2'
_chemical_formula_sum  'Fe1 S2 O8 N1 H4'
_cell_formula_units_Z  3
_cell_measurement_temperature  295
_symmetry_cell_setting  trigonal
_symmetry_space_group_name_H-M  'R -3'
loop_
_cell_length_a  4.827522(18)
_cell_length_b  4.827522
_cell_length_c  24.40002(13)
_cell_angle_alpha  90.0
_cell_angle_beta  90.0
_cell_angle_gamma  120.0
_cell_volume  492.45816
_diffrn_ambient_temperature  295
loop_
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
FE1  0.0  0.0  0.0  1.0  Uiso  0.0095(5)  3
S1  0.0  0.0  0.26430(8)  1.0  Uiso  0.0101(5)  6
O1  0.3125(7)  0.0403(7)  0.28481(16)  1.0  Uiso  0.0143(10)  18
O2  0.0  0.0  0.20495(21)  1.0  Uiso  0.0136(13)  6
N1  0.0  0.0  0.5  1.237(22)  Uiso  0.048(4)  3
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
  FE1  O1  1.9769(34)  .  101_444  N
  FE1  O1  1.9769(34)  .  102_544  N
  FE1  O1  1.9769(34)  .  103_554  N
  FE1  O1  1.9769(34)  .  -201_555  N
  FE1  O1  1.9769(34)  .  -202_455  N
  FE1  O1  1.9769(34)  .  -203_445  N
  S1  O1  1.5067(32)  .  1_555  N
  S1  O1  1.5067(32)  .  2_555  N
  S1  O1  1.5067(32)  .  3_555  N
  S1  O2  1.448(5)  .  1_555  N
  O1  FE1  1.9769(34)  .  201_555  N
  O1  S1  1.5067(32)  .  1_555  N
  O2  S1  1.448(5)  .  1_555  N
