data_global
_chemical_name_mineral 'Nitratine'
loop_
_publ_author_name
'Ahtee M'
'Nurmela M'
'Suortti P'
'Jarvinen M'
_journal_name_full 'Journal of Applied Crystallography'
_journal_volume 22 
_journal_year 1989
_journal_page_first 261
_journal_page_last 268
_publ_section_title
;
 Correction for preferred orientation in Rietveld refinement
 Sample: II, refined with correction for texture
 Note: Synthetic sample
;
_database_code_amcsd 0012858
_chemical_formula_sum 'Na N O3'
_cell_length_a 5.0718
_cell_length_b 5.0718
_cell_length_c 16.8336
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 375.001
_exptl_crystal_density_diffrn      2.258
_symmetry_space_group_name_H-M 'R -3 c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,1/2+z'
  '2/3+x,1/3+x-y,5/6+z'
  '1/3+x,2/3+x-y,1/6+z'
  'y,x,1/2-z'
  '2/3+y,1/3+x,5/6-z'
  '1/3+y,2/3+x,1/6-z'
  '-x+y,y,1/2+z'
  '2/3-x+y,1/3+y,5/6+z'
  '1/3-x+y,2/3+y,1/6+z'
  '-x,-x+y,1/2-z'
  '2/3-x,1/3-x+y,5/6-z'
  '1/3-x,2/3-x+y,1/6-z'
  '-y,-x,1/2+z'
  '2/3-y,1/3-x,5/6+z'
  '1/3-y,2/3-x,1/6+z'
  'x-y,-y,1/2-z'
  '2/3+x-y,1/3-y,5/6-z'
  '1/3+x-y,2/3-y,1/6-z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Na   0.00000   0.00000   0.00000
N   0.00000   0.00000   0.25000
O   0.24990   0.00000   0.25000
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
Na 0.03293 0.03293 0.02153 0.01647 0.00000 0.00000
N 0.05319 0.05319 0.00507 0.02660 0.00000 0.00000
O 0.04306 0.04180 0.03546 0.02090 -0.00317 -0.00633