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# mmf62633/2
;
_database_code_amcsd 0018875
_chemical_compound_source 'Dakhuunur'
_chemical_formula_sum 'Si3.09 Al2.91 O15.414 Na2.915 Ca.81 C.805 H1.998'
_cell_length_a 12.613
_cell_length_b 12.613
_cell_length_c 5.124
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 705.954
_exptl_crystal_density_diffrn      2.461
_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   0.32770   0.41029   0.75000   1.00000   0.00911
Al2   0.07504   0.41252   0.75110   0.97000   0.00991
Si2   0.07504   0.41252   0.75110   0.03000   0.00991
O1   0.20285   0.40426   0.65820   1.00000   0.01560
O2   0.11270   0.56339   0.72810   1.00000   0.02040
O3   0.02932   0.34870   0.06080   1.00000   0.01620
O4   0.31292   0.35650   0.04300   1.00000   0.01610
Na   0.66667   0.33333   0.13800   0.81500   0.03820
Wat   0.69100   0.37410   0.67900   0.33300   0.06100
NaA   0.12252   0.24759   0.29590   0.64000   0.02220
CaA   0.12252   0.24759   0.29590   0.25000   0.02220
NaA*   0.14240   0.28660   0.28800   0.06000   0.02220
CaA*   0.14240   0.28660   0.28800   0.02000   0.02220
C1   0.00000   0.00000   0.67510   0.43200   0.04400
OC1   0.05780   0.11860   0.67510   0.43200   0.04600
C2   0.00000   0.00000   0.91200   0.37300   0.03800
OC2   0.05900   0.11850   0.91200   0.37300   0.04400