data_global
_chemical_name_mineral 'Cancrinite'
loop_
_publ_author_name
'Pekov I V'
'Olysych L V'
'Chukanov N V'
'Zubkova N V'
'Pushcharovsky D Yu'
'Van K V'
'Giester G'
'Tillmanns E'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 49 
_journal_year 2012
_journal_page_first 1129
_journal_page_last 1150
_publ_section_title
;
 Crystal chemistry of cancrinite-group minerals with an AB-type framework:
 A review and new data. I. Chemical and structural variations
 Note: Sample# kir2343
;
_database_code_amcsd 0018870
_chemical_compound_source 'Khibiny'
_chemical_formula_sum 'Si3.3 Al2.7 O15.207 Na3.73 Ca.21 C.736 H1.998'
_cell_length_a 12.607
_cell_length_b 12.607
_cell_length_c 5.111
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 703.493
_exptl_crystal_density_diffrn      2.426
_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
Si1   0.32882   0.41128   0.75000   1.00000   0.00725
Al2   0.07563   0.41234   0.75076   0.90000   0.00719
Si2   0.07563   0.41234   0.75076   0.10000   0.00719
O1   0.20311   0.40467   0.65898   1.00000   0.01472
O2   0.11579   0.56374   0.72430   1.00000   0.01825
O3   0.03099   0.35279   0.06220   1.00000   0.01511
O4   0.31617   0.36021   0.04601   1.00000   0.01547
Na   0.66667   0.33333   0.13080   1.00000   0.02990
Wat   0.61430   0.31290   0.68490   0.33300   0.05700
NaA*   0.12360   0.25040   0.29920   0.57000   0.02300
CaA*   0.12360   0.25040   0.29920   0.05000   0.02300
NaA   0.11950   0.24100   0.26770   0.34000   0.02590
CaA   0.11950   0.24100   0.26770   0.02000   0.02590
C1   0.00000   0.00000   0.63990   0.28900   0.02150
OC1   0.05790   0.11820   0.63990   0.28900   0.02330
C2   0.00000   0.00000   0.90890   0.25100   0.01460
OC2   0.05800   0.11780   0.90890   0.25100   0.02250
C4   0.00000   0.00000   0.75830   0.19600   0.01110
OC4   0.05800   0.11880   0.75830   0.19600   0.01750