data_global
_chemical_name_mineral 'Cancrinite'
loop_
_publ_author_name
'Fechtelkord M'
'Stief F'
'Buhl J-C'
_journal_name_full 'American Mineralogist'
_journal_volume 86 
_journal_year 2001
_journal_page_first 165
_journal_page_last 175
_publ_section_title
;
 Sodium cation dynamics in nitrate cancrinite: A low and high temperature Na and H
 MAS NMR study and high temperature Rietveld structure refinement
 Sample: T = 673 K
;
_database_code_amcsd 0002624
_chemical_formula_sum 'Na3.87 Si3 Al3 O14.54 N.82 H.08'
_cell_length_a 12.7261
_cell_length_b 12.7261
_cell_length_c 5.2214
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 732.332
_exptl_crystal_density_diffrn      2.260
_symmetry_space_group_name_H-M 'P 63'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x-y,x,1/2+z'
  '-y,x-y,z'
  '-x,-y,1/2+z'
  '-x+y,-x,z'
  'y,-x+y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Na1   0.33333   0.66667   0.65400   0.93000   0.05200
Na2   0.13700   0.27410   0.28700   0.98000   0.06600
Si1   0.08000   0.41300   0.75000   1.00000   0.02800
Al1   0.33200   0.41100   0.75600   1.00000   0.02800
O1   0.20000   0.40600   0.68400   1.00000   0.03000
O2   0.11500   0.55700   0.73700   1.00000   0.03000
O3   0.02300   0.34900   0.03500   1.00000   0.03000
O4   0.32300   0.35900   0.06000   1.00000   0.03000
N1   0.00000   0.00000   0.56000   0.41000   0.03000
N2   0.00000   0.00000   0.78000   0.41000   0.03000
ON1   0.98000   0.08300   0.48000   0.41000   0.07000
ON2   0.89000   0.94000   0.71000   0.41000   0.07000
O-H1   0.33333   0.66667   0.68000   0.08000   0.01000