data_global
_amcsd_formula_title 'Ca(NO3)2(H2O)2'
loop_
_publ_author_name
'Leclaire A'
'Mitschler A'
'Monier J'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 32 
_journal_year 1976
_journal_page_first 1496
_journal_page_last 1499
_publ_section_title
;
 Structure cristalline de l'hydrate Ca(NO3)2(H2O)2 alpha
 _cod_database_code 1001000
;
_database_code_amcsd 0009558
_chemical_formula_sum 'Ca O8 N2 H4'
_cell_length_a 11.827
_cell_length_b 16.538
_cell_length_c 12.622
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 90.
_cell_volume 2468.799
_exptl_crystal_density_diffrn      2.154
_symmetry_space_group_name_H-M 'C c c a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,1/2+y,1/2+z'
  '1/2-x,+y,1/2+z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  'x,1/2+y,-z'
  '1/2+x,+y,-z'
  '-x,1/2-y,z'
  '1/2-x,-y,z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca1   0.50000   0.51059   0.25000   1.00000
Ca2   0.27196   0.25000   0.25000   1.00000
O1   0.13048   0.13275   0.27624   1.00000
O2   0.02139   0.12408   0.41257   1.00000
O3   0.13076   0.22657   0.39081   1.00000
N1   0.09250   0.15981   0.36143   1.00000
O4   0.38141   0.12587   0.20372   1.00000
O5   0.27399   0.12827   0.06603   1.00000
O6   0.37308   0.02063   0.10241   1.00000
N2   0.34114   0.09220   0.12161   1.00000
O7   0.38771   0.20739   0.39638   1.00000
O8   0.36771   0.03206   0.38750   1.00000
H1   0.35937   0.22708   0.46641   0.50000
H2   0.46675   0.22846   0.39110   0.50000
H3   0.39037   0.01243   0.45937   0.50000
H4   0.37458   0.09228   0.38943   0.50000
H5   0.62616   0.22530   0.02908   0.50000
H6   0.61546   0.14700   0.10102   0.50000
H7   0.61819   0.02242   0.03541   0.50000
H8   0.71489   0.02166   0.12253   0.50000