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 = 6.16 GPa ; _database_code_amcsd 0019034 _chemical_compound_source 'Cameroun' _chemical_formula_sum 'Si3 Al3 O15.64 Na3.522 Ca.438 C.88 H2' _cell_length_a 12.266 _cell_length_b 12.266 _cell_length_c 4.864 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 633.768 _exptl_crystal_density_diffrn 2.759 _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 0.08420 0.41190 0.73870 1.00000 0.01300 Al 0.33750 0.41390 0.74050 1.00000 0.01250 O1 0.19600 0.39310 0.62700 1.00000 0.02000 O2 0.12670 0.55900 0.68600 1.00000 0.02700 O3 0.05780 0.37210 0.05500 1.00000 0.01400 O4 0.31930 0.36130 0.07000 1.00000 0.01700 Na1 0.66667 0.33333 0.08400 0.96000 0.04700 Na2 0.87610 0.75300 0.77740 0.85400 0.03100 Ca 0.87610 0.75300 0.77740 0.14600 0.03100 C1 0.00000 0.00000 0.92000 0.42100 0.01600 OC1 0.06000 0.11900 0.85300 0.42100 0.04500 C2 0.00000 0.00000 0.67600 0.45900 0.01600 OC2 0.06200 0.12280 0.66600 0.45900 0.04500 Wat 0.31100 0.61400 0.14600 0.33333 0.04800