data_2202302
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2003
_journal_volume  59
_journal_page_first  i134
_journal_page_last  i136
_publ_section_title
;
Ammomium Iron(III) Molybdate
;
loop_
_publ_author_name
  'Wu, Xiaoyuan'
  'Zhang, Hanhui'
  'Huang, Changcang'
  'Huang, Xihe'
  'Sun, Qiaozhen'
  'Lin, Zhihua'
_chemical_formula_sum  'Fe H4 Mo2 N O8'
_chemical_formula_structural  'N H4 Fe (Mo O4)2'
_chemical_formula_iupac  '(N H4) [Fe (Mo O4 )2 ]'
_chemical_formula_weight  393.77
_symmetry_cell_setting  Orthorhombic
_symmetry_space_group_name_H-M  'P n m a'
_symmetry_space_group_name_Hall  '-P 2ac 2n'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, -y, z+1/2'
  '-x, y+1/2, -z'
  'x+1/2, -y+1/2, -z+1/2'
  '-x, -y, -z'
  'x-1/2, y, -z-1/2'
  'x, -y-1/2, z'
  '-x-1/2, y-1/2, z-1/2'
_cell_length_a  14.782(3)
_cell_length_b  5.6774(11)
_cell_length_c  8.7653(18)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  735.6(3)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  3.556
_diffrn_ambient_temperature  293(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Mo1 0.032854(17) 0.2500 0.29379(3) 0.00992(12) Uani d S 1 . . Mo
  Mo2 0.281400(18) 0.2500 0.99826(4) 0.01173(13) Uani d S 1 . . Mo
  Fe3 0.11699(3) 0.2500 0.69048(6) 0.00928(15) Uani d S 1 . . Fe
  N1 0.3824(2) 0.2500 0.5398(4) 0.0207(7) Uani d S 1 . . N
  O1 0.05096(18) 0.2500 0.4921(3) 0.0160(6) Uani d S 1 . . O
  O2 -0.03143(9) -0.0006(3) 0.2315(2) 0.0160(4) Uani d . 1 . . O
  O3 0.36644(18) 0.2500 0.8674(4) 0.0276(7) Uani d S 1 . . O
  O4 0.17752(15) 0.2500 0.8922(3) 0.0188(6) Uani d S 1 . . O
  O5 0.13360(17) 0.2500 0.1968(3) 0.0201(6) Uani d S 1 . . O
  O6 0.29668(11) -0.0097(4) 1.1099(2) 0.0191(4) Uani d . 1 . . O
  H1 0.4304 0.2500 0.6044 0.059(19) Uiso d S 1 . . H
  H2 0.3286 0.2500 0.5657 0.06(2) Uiso d S 1 . . H
  H3 0.3904 0.1321 0.4726 0.068(15) Uiso d . 1 . . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Mo1 0.00913(17) 0.01062(17) 0.01000(19) 0.000 -0.00015(9) 0.000
  Mo2 0.01073(18) 0.01119(18) 0.0133(2) 0.000 -0.00328(10) 0.000
  Fe3 0.0093(2) 0.0087(2) 0.0099(3) 0.000 -0.00115(17) 0.000
  N1 0.0217(15) 0.0225(17) 0.0179(18) 0.000 0.0016(14) 0.000
  O1 0.0210(11) 0.0177(13) 0.0093(13) 0.000 -0.0019(9) 0.000
  O2 0.0186(7) 0.0134(9) 0.0161(8) -0.0055(7) -0.0029(6) 0.0005(9)
  O3 0.0192(12) 0.0387(17) 0.0248(16) 0.000 0.0032(12) 0.000
  O4 0.0149(11) 0.0284(14) 0.0133(13) 0.000 -0.0041(10) 0.000
  O5 0.0149(10) 0.0220(13) 0.0235(16) 0.000 0.0055(10) 0.000
  O6 0.0195(6) 0.0171(9) 0.0207(10) 0.0072(7) -0.0017(6) 0.0042(10)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Mo1 O5 . 1.715(3) yes
  Mo1 O1 . 1.758(3) yes
  Mo1 O2 . 1.7959(17) yes
  Mo1 O2 7_565 1.7959(17) no
  Mo2 O3 . 1.702(3) yes
  Mo2 O6 7_565 1.784(2) no
  Mo2 O6 . 1.784(2) yes
  Mo2 O4 . 1.795(2) yes
  Fe3 O4 . 1.981(3) yes
  Fe3 O1 . 1.994(3) yes
  Fe3 O6 2_554 1.9972(18) yes
  Fe3 O6 8_665 1.9972(18) no
  Fe3 O2 5_556 2.0178(17) yes
  Fe3 O2 3_556 2.0178(17) no
  O2 Fe3 5_556 2.0178(17) no
  O6 Fe3 2 1.9972(18) no