data_global
_chemical_name_mineral 'Niter'
loop_
_publ_author_name
'Nimmo J K'
'Lucas B W'
_journal_name_full 'Journal of Physics C: Solid State Physics'
_journal_volume 6 
_journal_year 1973
_journal_page_first 201
_journal_page_last 211
_publ_section_title
;
 A neutron diffraction determination of the crystal structure of
 alpha-phase potassium nitrate at 25 C and 100 C
 Sample: T = 25 C
;
_database_code_amcsd 0013162
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'K N O3'
_cell_length_a 5.4142
_cell_length_b 9.1659
_cell_length_c 6.4309
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 319.140
_exptl_crystal_density_diffrn      2.104
_symmetry_space_group_name_H-M 'P m c n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-x,y,z'
  '1/2+x,-y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2-y,1/2+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
K   0.25000   0.41660   0.75680
N   0.25000   0.75480  -0.08480
O1   0.25000   0.89020  -0.08930
O2   0.44920   0.68660  -0.08490
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
K 0.02732 0.02596 0.03771 0.00000 0.00000 0.00149
N 0.02732 0.03022 0.02326 0.00000 0.00000 0.00030
O1 0.04054 0.02809 0.05217 0.00000 0.00000 -0.00717
O2 0.02569 0.04128 0.04945 0.00478 -0.00476 0.00478