#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1000283.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_1000283
_chemical_name_systematic          'Diammonium catena-tetramolybdate'
_chemical_formula_structural       '(N H4)2 (Mo4 O13)'
_chemical_formula_sum              'H8 Mo4 N2 O13'
_publ_section_title
;
Synthesis and crystal structure of two polymorphs of
(NH~4~)~2~Mo~4~O~13~, orthorhombic (o) and triclinic
(t)
;
loop_
_publ_author_name
  'Benchrifa, R'
  'Leblanc, M'
  'De=Pape, R'
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_coden_ASTM                EJSCE5
_journal_volume                    26
_journal_year                      1989
_journal_page_first                593
_journal_page_last                 601
_cell_length_a                     8.264(4)
_cell_length_b                     8.344(4)
_cell_length_c                     10.245(5)
_cell_angle_alpha                  104.61(2)
_cell_angle_beta                   106.05(2)
_cell_angle_gamma                  109.67(2)
_cell_volume                       590.9
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P -1'
_symmetry_Int_Tables_number        2
_symmetry_cell_setting             triclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Mo6+   6.000
  O2-   -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+   2 i 0.77336(3) 0.46037(2) 0.96321(2) 1.  0 d
  Mo2   Mo6+   2 i 0.05822(3) -0.1215 0.27210(2) 1.  0 d
  Mo3   Mo6+   2 i 0.08201(3) 0.49798(3) 0.29260(2) 1.  0 d
  Mo4   Mo6+   2 i 0.22343(3) 0.14961(3) 0.05274(2) 1.  0 d
  O1    O2-    2 i 0.0685(2) -0.0201(2) 0.1161(2) 1.  0 d
  O2    O2-    2 i -0.2200(2) -0.3046(2) 0.0692(2) 1.  0 d
  O3    O2-    2 i -0.4530(3) -0.6634(3) -0.1618(2) 1.  0 d
  O4    O2-    2 i -0.0225(3) -0.6549(3) 0.3604(2) 1.  0 d
  O5    O2-    2 i 0.0978(2) -0.3523(2) 0.1331(2) 1.  0 d
  O6    O2-    2 i 0.1248(3) -0.6411(2) 0.1403(2) 1.  0 d
  O7    O2-    2 i -0.0499(3) -0.0085(3) 0.3488(2) 1.  0 d
  O8    O2-    2 i -0.2908(3) -0.0131(3) 0.0504(3) 1.  0 d
  O9    O2-    2 i -0.0044(3) -0.3131(2) 0.3443(2) 1.  0 d
  O10   O2-    2 i 0.2919(3) 0.0087(3) 0.3834(2) 1.  0 d
  O11   O2-    2 i 0.3086(3) -0.3805(3) 0.4224(2) 1.  0 d
  O12   O2-    2 i -0.2140(3) -0.6245(2) 0.1022(2) 1.  0 d
  O13   O2-    2 i -0.4203(3) -0.2766(3) -0.2119(2) 1.  0 d
  N1    N3-    2 i -0.6269(4) -0.0736(4) -0.3102(3) 1.  4 d
  N2    N3-    2 i -0.6862(4) -0.6448(4) -0.4219(3) 1.  4 d
  H1    H1+    2 i 0.270(9) 0.886(8) 0.6851(7) 1.  0 d
  H2    H1+    2 i 0.564(8) 0.900(8) 0.2789(7) 1.  0 d
  H3    H1+    2 i 0.567(8) 0.082(8) 0.3628(6) 1.  0 d
  H4    H1+    2 i 0.582(8) 0.026(8) 0.2106(7) 1.  0 d
  H5    H1+    2 i 0.304(8) 0.435(8) 0.5317(7) 1.  0 d
  H6    H1+    2 i 0.372(8) 0.277(8) 0.5435(7) 1.  0 d
  H7    H1+    2 i 0.200(8) 0.286(8) 0.5743(6) 1.  0 d
  H8    H1+    2 i 0.612(9) 0.627(9) 0.3529(7) 1.  0 d
_refine_ls_R_factor_all            0.022