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 = 1.39 GPa ; _database_code_amcsd 0019028 _chemical_compound_source 'Cameroun' _chemical_formula_sum 'Si3 Al3 O15.64 Na3.522 Ca.438 C.88 H2' _cell_length_a 12.514 _cell_length_b 12.514 _cell_length_c 5.034 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 682.710 _exptl_crystal_density_diffrn 2.561 _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 0.41090 0.73420 1.00000 0.01050 Al 0.33720 0.41210 0.73560 1.00000 0.01120 O1 0.20040 0.40060 0.63500 1.00000 0.01700 O2 0.11800 0.55330 0.70200 1.00000 0.02200 O3 0.04840 0.36200 0.03500 1.00000 0.01300 O4 0.31830 0.35350 0.05400 1.00000 0.01500 Na1 0.66667 0.33333 0.11000 0.96000 0.04000 Na2 0.87430 0.75080 0.77840 0.85400 0.03200 Ca 0.87430 0.75080 0.77840 0.14600 0.03200 C1 0.00000 0.00000 0.90000 0.42100 0.02800 OC1 0.05800 0.12000 0.88600 0.42100 0.05200 C2 0.00000 0.00000 0.67100 0.45900 0.02800 OC2 0.06300 0.12030 0.67100 0.45900 0.05200 Wat 0.30500 0.61400 0.17800 0.33333 0.05600