data_1007191
_chemical_name_systematic
;
Tetraammonium dimanganese cyclo-hexaphosphate oxalate hexahydrate
;
_chemical_formula_structural       '(N H4)4 Mn2 (P6 O18) (C2 O4) (H2 O)6'
_chemical_formula_sum              'H28 Mn2 N4 O28 P6'
_publ_section_title
;
Crystal chemistry of cyclo-hexaphosphates. IX.Structure of
tetraammonium dimanganese cyclohexaphosphate oxalate
hexahydrate
;
loop_
_publ_author_name
  'Averbuch-Pouchot, M T'
  'Durif, A'
_journal_name_full                 'Acta Crystallographica C (39,1983-)'
_journal_coden_ASTM                ACSCEE
_journal_volume                    46
_journal_year                      1990
_journal_page_first                965
_journal_page_last                 968
_cell_length_a                     9.747(3)
_cell_length_b                     9.751(3)
_cell_length_c                     7.689(3)
_cell_angle_alpha                  99.92(5)
_cell_angle_beta                   105.88(5)
_cell_angle_gamma                  100.08(5)
_cell_volume                       673.1
_cell_formula_units_Z              1
_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
  Mn2+   2.000
  P5+    5.000
  O2-   -2.000
  N3-   -3.000
  C3+    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
  Mn1   Mn2+   2 i 0.84208(5) 0.11847(4) 0.70887(6) 1.  0 d
  P1    P5+    2 i 0.17081(7) 0.40931(7) 0.37697(9) 1.  0 d
  P2    P5+    2 i 0.63293(8) -0.2142 0.6301(1) 1.  0 d
  P3    P5+    2 i 0.37492(8) -0.3566 0.3171(1) 1.  0 d
  O1    O2-    2 i 0.0394(2) 0.4170(2) 0.2285(3) 1.  0 d
  O2    O2-    2 i 0.1536(2) 0.3809(2) 0.5538(3) 1.  0 d
  O3    O2-    2 i 0.7575(2) 0.7064(2) 0.7169(3) 1.  0 d
  O4    O2-    2 i 0.7060(2) 0.4459(2) 0.5685(3) 1.  0 d
  O5    O2-    2 i 0.7029(3) -0.0871(2) 0.5761(3) 1.  0 d
  O6    O2-    2 i 0.5459(2) -0.1985(3) 0.7583(3) 1.  0 d
  O7    O2-    2 i 0.5419(2) -0.3315(2) 0.4408(3) 1.  0 d
  O8    O2-    2 i 0.3591(3) -0.4438(3) 0.1318(3) 1.  0 d
  O9    O2-    2 i 0.3339(2) -0.2169(2) 0.3301(4) 1.  0 d
  O10   O2-    2 i 0.0348(2) 0.0210(2) 0.7936(3) 1.  0 d
  O11   O2-    2 i 0.1451(2) 0.9156(2) 0.0101(3) 1.  0 d
  O12   O2-    2 i 0.9075(3) 0.1655(3) 0.4750(3) 1.  2 d
  O13   O2-    2 i -0.0020(3) 0.6739(2) 0.1387(3) 1.  2 d
  O14   O2-    2 i 0.5653(4) 0.9481(3) 0.1881(5) 1.  2 d
  N1    N3-    2 i 0.3020(3) 0.2850(3) 0.8798(4) 1.  4 d
  N2    N3-    2 i 0.7216(3) 0.2989(4) 0.1666(4) 1.  4 d
  C1    C3+    2 i 0.9476(3) 0.0192(3) 0.0564(4) 1.  0 d
  H1    H1+    2 ? -1. -1. -1. 14.  0 dum
_refine_ls_R_factor_all            0.03