data_global
_chemical_name_mineral 'Nitromagnesite'
loop_
_publ_author_name
'Braibanti A'
'Tiripicchio A'
'Lanfredi A M M'
'Bigoli F'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 35 
_journal_year 1979
_journal_page_first 354
_journal_page_last 361
_publ_section_title
;
 The crystal structures of nitrates of divalent hexaquocations. II.
 Hexaquomagnesium nitrate
 Note: z(Wat2) corrected
;
_database_code_amcsd 0009664
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Mg N2 O12 H12'
_cell_length_a 6.194
_cell_length_b 12.707
_cell_length_c 6.600
_cell_angle_alpha 90
_cell_angle_beta 92.99
_cell_angle_gamma 90
_cell_volume 518.760
_exptl_crystal_density_diffrn      1.642
_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
Mg   0.00000   0.50000   0.50000
N4   0.46680   0.20400   0.53620
O5   0.60310   0.13010   0.53300
O6   0.28140   0.18810   0.56850
O7   0.53390   0.29620   0.51720
Wat1  -0.03580   0.33980   0.47640
Wat2   0.30220   0.48050   0.64160
Wat3  -0.14320   0.49930   0.77500
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
Mg 0.04293 0.03643 0.04497 -0.00157 -0.00529 0.00058
N4 0.04416 0.04102 0.05203 0.00328 0.00005 0.00745
O5 0.07322 0.06290 0.08070 0.02062 -0.00085 0.00617
O6 0.05932 0.05705 0.10183 0.00595 0.00702 0.01958
O7 0.06612 0.05525 0.11030 0.00135 0.00125 0.00576
Wat1 0.05913 0.04502 0.08120 -0.00023 -0.00935 -0.00033
Wat2 0.04951 0.05452 0.07119 0.00286 -0.01579 -0.00366
Wat3 0.07391 0.05553 0.06269 -0.00009 0.00444 -0.00191