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 = 0.99 GPa ; _database_code_amcsd 0019027 _chemical_compound_source 'Cameroun' _chemical_formula_sum 'Si3 Al3 O15.64 Na3.522 Ca.438 C.88 H2' _cell_length_a 12.530 _cell_length_b 12.530 _cell_length_c 5.072 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 689.623 _exptl_crystal_density_diffrn 2.536 _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 0.08260 0.41080 0.73760 1.00000 0.01390 Al 0.33740 0.41210 0.73890 1.00000 0.01330 O1 0.20000 0.40170 0.64400 1.00000 0.02000 O2 0.11630 0.55130 0.70700 1.00000 0.02000 O3 0.04570 0.35880 0.03400 1.00000 0.01500 O4 0.31910 0.35120 0.05300 1.00000 0.01700 Na1 0.66667 0.33333 0.11500 0.96000 0.03600 Na2 0.87330 0.74970 0.78200 0.85400 0.03200 Ca 0.87330 0.74970 0.78200 0.14600 0.03200 C1 0.00000 0.00000 0.91000 0.42100 0.05000 OC1 0.05600 0.11900 0.86400 0.42100 0.06900 C2 0.00000 0.00000 0.66000 0.45900 0.05000 OC2 0.06300 0.12000 0.65700 0.45900 0.06900 Wat 0.30900 0.60800 0.17300 0.33333 0.05000