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# mmf28962 ; _database_code_amcsd 18874 _chemical_compound_source 'Ilmeny Mountains, southern Urals, Russia' _chemical_formula_sum 'Si3.09 Al2.91 O15.312 Na3.255 Ca.6 C.771 H1.998' _cell_length_a 12.617 _cell_length_b 12.617 _cell_length_c 5.129 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 120.0 _cell_volume 707.091 _exptl_crystal_density_diffrn 2.444 _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 0.32795 0.41047 0.75 1.0 0.00926 Al2 0.07506 0.4125 0.75085 0.97 0.00954 Si2 0.07506 0.4125 0.75085 0.03 0.00954 O1 0.20308 0.40495 0.6581 1.0 0.0166 O2 0.11353 0.56358 0.7273 1.0 0.0211 O3 0.02942 0.3497 0.0598 1.0 0.0174 O4 0.31396 0.35719 0.0433 1.0 0.0168 Na 0.666667 0.333333 0.124 0.705 0.0343 Na* 0.666667 0.333333 0.187 0.18 0.026 Wat 0.6849 0.3068 0.6857 0.333 0.066 NaA 0.12273 0.2477 0.2913 0.64 0.0253 CaA 0.12273 0.2477 0.2913 0.16 0.0253 NaA* 0.132 0.2699 0.2998 0.15 0.038 CaA* 0.132 0.2699 0.2998 0.04 0.038 C1 0.0 0.0 0.715 0.211 0.021 OC1 0.0575 0.1202 0.715 0.211 0.022 C2 0.0 0.0 0.944 0.185 0.011 OC2 0.0575 0.1165 0.944 0.185 0.026 C3 0.0 0.0 0.626 0.225 0.024 OC3 0.0572 0.1172 0.626 0.225 0.024 C4 0.0 0.0 0.844 0.15 0.006 OC4 0.0587 0.1192 0.844 0.15 0.025