data_global
_chemical_name_mineral 'Oxammite'
loop_
_publ_author_name
'Taylor J C'
'Sabine T M'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 28 
_journal_year 1972
_journal_page_first 3340
_journal_page_last 3351
_publ_section_title
;
 Isotope and bonding effects in ammonium oxalate monohydrate, determined by the
 combined use of neutron and X-ray diffraction analyses
 Sample: NOX(N)
;
_database_code_amcsd 0009462
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'N2 C2 O5 H2'
_cell_length_a 8.025
_cell_length_b 10.300
_cell_length_c 3.799
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 314.016
_exptl_crystal_density_diffrn      1.418
_symmetry_space_group_name_H-M 'P 21 21 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-x,1/2+y,-z'
  '1/2+x,1/2-y,-z'
  '-x,-y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N   0.38670   0.22660   0.42510
C   0.09210   0.02320   0.07010
O1   0.20180  -0.05870   0.14230
O2   0.11760   0.14100   0.00120
Wat   0.00000   0.50000   0.18550
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
N 0.02610 0.02580 0.02515 -0.00502 0.00000 -0.00099
C 0.01599 0.01881 0.02267 -0.00209 -0.00093 0.00159
O1 0.01892 0.02741 0.04336 0.00167 -0.00031 0.00912
O2 0.02121 0.02311 0.04233 -0.00544 -0.00710 0.00674
Wat 0.02088 0.03332 0.03268 0.00042 0.00000 0.00000