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# Kovd5 ; _database_code_amcsd 0018869 _chemical_compound_source 'Kovdor' _chemical_formula_sum 'Si3.33 Al2.67 O15.165 Na3.91 Ca.09 C.722 H1.998' _cell_length_a 12.606 _cell_length_b 12.606 _cell_length_c 5.118 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 704.345 _exptl_crystal_density_diffrn 2.416 _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 0.32880 0.41127 0.75000 1.00000 0.00758 Al2 0.07557 0.41238 0.75065 0.89000 0.00764 Si2 0.07557 0.41238 0.75065 0.11000 0.00764 O1 0.20304 0.40468 0.65957 1.00000 0.01530 O2 0.11582 0.56377 0.72443 1.00000 0.01919 O3 0.03076 0.35266 0.06175 1.00000 0.01552 O4 0.31616 0.36021 0.04513 1.00000 0.01569 Na 0.66670 0.33330 0.13150 1.00000 0.02990 Wat 0.68730 0.30150 0.68480 0.33300 0.05620 NaA* 0.12490 0.25250 0.29720 0.62000 0.02540 CaA* 0.12490 0.25250 0.29720 0.02000 0.02540 NaA 0.11940 0.24180 0.26270 0.35000 0.02790 CaA 0.11940 0.24180 0.26270 0.01000 0.02790 C1 0.00000 0.00000 0.64400 0.32000 0.03600 OC1 0.05750 0.11800 0.64400 0.32000 0.04300 C2 0.00000 0.00000 0.90540 0.25200 0.02230 OC2 0.05760 0.11790 0.90540 0.25200 0.03170 C4 0.00000 0.00000 0.75800 0.15000 0.01000 OC4 0.05700 0.11710 0.75800 0.15000 0.02400