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: DOX(N)
;
_database_code_amcsd 0009463
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'N2 H10 C2 O5'
_cell_length_a 8.027
_cell_length_b 10.298
_cell_length_c 3.816
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 315.438
_exptl_crystal_density_diffrn      1.496
_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   0.38680   0.22660   0.42510
H1   0.47500   0.26780   0.26380
H2   0.43350   0.14750   0.55870
H3   0.28740   0.19700   0.27230
H4   0.35010   0.29700   0.60210
C   0.09220   0.02370   0.07030
O1   0.20170  -0.05860   0.14100
O2   0.11760   0.14060   0.00220
Ow   0.00000   0.50000   0.18350
Hw   0.09570   0.48110   0.03820
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 0.02513 0.02310 0.02339 -0.00377 -0.00016 -0.00119
H1 0.02807 0.03707 0.03261 -0.00754 0.00636 0.00060
H2 0.04113 0.02579 0.03327 0.00168 -0.00326 0.00597
H3 0.02742 0.03546 0.03467 -0.00921 -0.00497 -0.00159
H4 0.03950 0.02901 0.03025 0.00000 0.00512 -0.00697
C 0.01404 0.01665 0.01925 -0.00209 -0.00171 0.00219
O1 0.01567 0.02364 0.04426 0.00126 -0.00062 0.01095
O2 0.02056 0.01773 0.04190 -0.00544 -0.00683 0.00796
Ow 0.01991 0.02525 0.03320 -0.00209 0.00000 0.00000
Hw 0.02122 0.03062 0.03858 -0.00042 0.00543 -0.00100