data_global
_chemical_name_mineral 'Nitrocalcite'
loop_
_publ_author_name
'Leclaire A'
'Monier J'
_journal_name_full 'Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences'
_journal_volume 271 
_journal_year 1970
_journal_page_first 1555
_journal_page_last 1557
_publ_section_title
;
 Structure cristalline du nitrate de calcium tetrahydrate
 _cod_database_code 1001743
;
_database_code_amcsd 0012286
_chemical_formula_sum 'Ca N2 O10'
_cell_length_a 6.268
_cell_length_b 9.116
_cell_length_c 14.83
_cell_angle_alpha 90
_cell_angle_beta 106.50
_cell_angle_gamma 90
_cell_volume 812.478
_exptl_crystal_density_diffrn      1.865
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca1   0.32770   0.41020   0.36700
N1   0.07260   0.37160   0.16840
N2   0.48000   0.73340   0.40530
O1   0.06010   0.48440   0.21710
O2   0.18970   0.26860   0.21210
O3  -0.02370   0.36550   0.08460
O4   0.54180   0.62100   0.45850
O5   0.55070   0.85440   0.43420
O6   0.35090   0.71170   0.32690
O7   0.60050   0.46340   0.28130
O8   0.03650   0.53680   0.41610
O9   0.08080   0.22050   0.39840
O10   0.57880   0.19660   0.38590