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# Kovd15/1
;
_database_code_amcsd 0018868
_chemical_compound_source 'Kovdor'
_chemical_formula_sum 'Si3.33 Al2.67 O14.31 Na3.43 K.15 C.437 H1.998'
_cell_length_a 12.683
_cell_length_b 12.683
_cell_length_c 5.190
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 723.006
_exptl_crystal_density_diffrn      2.235
_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   0.33005   0.41291   0.75000   1.00000   0.00910
Al2   0.07606   0.41389   0.75067   0.89000   0.00924
Si2   0.07606   0.41389   0.75067   0.11000   0.00924
O1   0.20288   0.40452   0.67210   1.00000   0.01870
O2   0.11904   0.56549   0.72680   1.00000   0.02380
O3   0.02646   0.35346   0.05480   1.00000   0.01940
O4   0.32153   0.36118   0.03860   1.00000   0.01910
Na   0.66670   0.33330   0.12700   1.00000   0.03460
Wat   0.69800   0.38740   0.68970   0.33300   0.05820
NaA   0.13129   0.26535   0.28630   0.81000   0.05220
KA   0.13129   0.26535   0.28630   0.05000   0.05220
C1   0.00000   0.00000   0.67900   0.17100   0.03900
OC1   0.05400   0.11410   0.67900   0.17100   0.05500
C2   0.00000   0.00000   0.88900   0.16900   0.03800
OC2   0.03440   0.11420   0.88900   0.16900   0.08000
C3   0.00000   0.00000   0.51600   0.09700   0.02400
OC3   0.10050   0.00510   0.51600   0.09700   0.03400