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: 1b
;
_database_code_amcsd 0006318
_chemical_compound_source 'Egan Chute, Bancroft area, Ontario, Canada'
_chemical_formula_sum 'K.716 (Na2.88 Ca.12) Al4 Si4 O16'
_cell_length_a 9.99567
_cell_length_b 9.99567
_cell_length_c 8.37777
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 724.908
_exptl_crystal_density_diffrn      2.636
_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
K   0.00000   0.00000   0.00060   0.71600   0.02630
Na   0.44318   0.99665   0.98930   0.96000   0.02270
Ca   0.44318   0.99665   0.98930   0.04000   0.02270
Al1   0.66667   0.33333   0.80570   1.00000   0.01140
Al2   0.33070   0.09160   0.31110   1.00000   0.01031
Si1   0.66667   0.33333   0.19010   1.00000   0.01140
Si2   0.33740   0.09700   0.68520   1.00000   0.01031
O1   0.71540   0.33710   0.00540   0.33333   0.02700
O2   0.31990   0.03100   0.50080   1.00000   0.03180
O3   0.51540   0.16550   0.71820   1.00000   0.03460
O4   0.51880   0.17510   0.23620   1.00000   0.02740
O5   0.28520   0.23080   0.30460   1.00000   0.03100
O6   0.26800   0.21820   0.68620   1.00000   0.01530