data_global
_chemical_name_mineral 'Nepheline'
loop_
_publ_author_name
'Antao S M'
'Hassan I'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 48 
_journal_year 2010
_journal_page_first 69
_journal_page_last 80
_publ_section_title
;
 Nepheline: structure of three samples from the Bancroft area, Ontario,
 obtained using synchrotron high-resolution powder x-ray diffraction
 Sample: 3
;
_database_code_amcsd 0006320
_chemical_compound_source 'Davis Hill, Bancroft area, Ontario, Canada'
_chemical_formula_sum 'K.778 Na3 Al4 Si2 O18'
_cell_length_a 9.99567
_cell_length_b 9.99567
_cell_length_c 8.37873
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 724.991
_exptl_crystal_density_diffrn      2.526
_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
K1   0.00000   0.00000   0.99920   0.77800   0.02090
Na1   0.44381   0.99730   0.99870   1.00000   0.02590
Al1   0.66667   0.33333   0.80350   1.00000   0.00960
Al2   0.33690   0.09480   0.31050   1.00000   0.00880
Si1   0.66667   0.33333   0.19340   1.00000   0.00960
Si2   0.33050   0.09290   0.68420   0.33333   0.00880
O1   0.71250   0.34520   0.00630   1.00000   0.02200
O2   0.31660   0.02800   0.49960   1.00000   0.02340
O3   0.51380   0.16720   0.71980   1.00000   0.02340
O4   0.51950   0.17340   0.23470   1.00000   0.02340
O5   0.26630   0.22360   0.30080   1.00000   0.02340
O6   0.28340   0.22520   0.68280   1.00000   0.02340