data_global _chemical_name_mineral 'Cancrinite' loop_ _publ_author_name 'Lotti P' 'Gatta G D' 'Rotiroti N' 'Camara F' _journal_name_full 'American Mineralogist' _journal_volume 97 _journal_year 2012 _journal_page_first 872 _journal_page_last 882 _publ_section_title ; High-pressure study of a natural cancrinite Note: P = 2.33 GPa ; _database_code_amcsd 0019029 _chemical_compound_source 'Cameroun' _chemical_formula_sum 'Si3 Al3 O15.64 Na3.522 Ca.438 C.88 H2' _cell_length_a 12.447 _cell_length_b 12.447 _cell_length_c 5.006 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 671.662 _exptl_crystal_density_diffrn 2.604 _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 Si 0.08290 0.41110 0.73400 1.00000 0.01030 Al 0.33690 0.41230 0.73570 1.00000 0.00920 O1 0.20040 0.40100 0.63400 1.00000 0.01600 O2 0.11740 0.55250 0.69900 1.00000 0.02100 O3 0.04940 0.36290 0.03900 1.00000 0.01400 O4 0.31810 0.35290 0.05800 1.00000 0.01600 Na1 0.66667 0.33333 0.10700 0.96000 0.04200 Na2 0.87490 0.75240 0.77920 0.85400 0.02830 Ca 0.87490 0.75240 0.77920 0.14600 0.02830 C1 0.00000 0.00000 0.90000 0.42100 0.03200 OC1 0.05200 0.11930 0.87000 0.42100 0.05300 C2 0.00000 0.00000 0.65500 0.45900 0.03200 OC2 0.06700 0.11980 0.67200 0.45900 0.05300 Wat 0.31900 0.61700 0.17600 0.33333 0.04700