data_global
_chemical_name_mineral 'Cancrisilite'
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# u1631
;
_database_code_amcsd 0018867
_chemical_compound_source 'Lovozero'
_chemical_formula_sum '(Si3.72 Al2.28) O15.112 Na3.702 C.704 H2'
_cell_length_a 12.584
_cell_length_b 12.584
_cell_length_c 5.101
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 699.557
_exptl_crystal_density_diffrn      2.390
_symmetry_space_group_name_H-M 'P 63 m c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  'y,-x+y,1/2+z'
  '-x+y,y,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
Si   0.07934   0.41214   0.75000   0.62000   0.00796
Al   0.07934   0.41214   0.75000   0.38000   0.00796
O1   0.20219  -0.20219   0.66167   1.00000   0.01749
O2   0.44218  -0.44218   0.72436   1.00000   0.02156
O3   0.03638   0.35694   0.05218   1.00000   0.01725
Na1   0.33333   0.66667   0.63410   0.82200   0.03480
Wat   0.33333   0.66667   0.14000   0.22000   0.05900
Wat*   0.38110   0.69050   0.19130   0.26000   0.05770
Na2*   0.12384  -0.12384   0.30220   0.49000   0.02480
Na2   0.12190  -0.12190   0.26300   0.47000   0.02590
C1   0.00000   0.00000   0.65240   0.27800   0.02530
OC1   0.05911   0.11820   0.65240   0.27800   0.03350
C2   0.00000   0.00000   0.91460   0.27400   0.02480
OC2   0.05926   0.11850   0.91460   0.27400   0.03110
C3   0.00000   0.00000   0.78200   0.15200   0.01280
OC3   0.05940   0.11890   0.78200   0.15200   0.01620