data_global _chemical_name_mineral 'Gobbinsite' loop_ _publ_author_name 'Artioli G' 'Foy H' _journal_name_full 'Mineralogical Magazine' _journal_volume 58 _journal_year 1994 _journal_page_first 615 _journal_page_last 620 _publ_section_title ; Gobbinsite from Magheramorne quarry, Northern Ireland ; _database_code_amcsd 0014508 _chemical_compound_source 'Magheramorne quarry, Northern Ireland' _chemical_formula_sum 'Na2 Ca.47 (Al2.8 Si5.2) O22 H12' _cell_length_a 10.1027 _cell_length_b 9.8016 _cell_length_c 10.1682 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1006.882 _exptl_crystal_density_diffrn 2.146 _symmetry_space_group_name_H-M 'P m n 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,-y,1/2+z' '-x,y,z' '1/2-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 Na1 0.25300 0.25700 0.36300 0.62000 0.09300 Na2 0.36900 0.24000 0.33300 0.38000 0.09300 Ca 0.50000 0.11800 0.10200 0.47000 0.11000 Al1 0.15450 0.42890 0.80030 0.35000 0.04000 Si1 0.15450 0.42890 0.80030 0.65000 0.04000 Al2 0.15260 0.10630 0.75800 0.35000 0.04000 Si2 0.15260 0.10630 0.75800 0.65000 0.04000 Al3 0.34060 0.07780 0.00000 0.35000 0.04000 Si3 0.34060 0.07780 0.00000 0.65000 0.04000 Al4 0.34080 0.38250 0.04700 0.35000 0.04000 Si4 0.34080 0.38250 0.04700 0.65000 0.04000 O1 0.16800 0.27050 0.75200 1.00000 0.04500 O2 0.00000 0.45400 0.83700 1.00000 0.04500 O3 0.30600 0.46900 0.18800 1.00000 0.04500 O4 0.25400 0.45100 0.92600 1.00000 0.04500 O5 0.00000 0.06700 0.79700 1.00000 0.04500 O6 0.18900 0.03300 0.61800 1.00000 0.04500 O7 0.25300 0.04000 0.86700 1.00000 0.04500 O8 0.30500 0.22490 0.06200 1.00000 0.04500 O9 0.50000 0.07900 0.96500 1.00000 0.04500 O10 0.50000 0.39800 0.01600 1.00000 0.04500 Wat1 0.50000 0.09600 0.60300 1.08000 0.09400 Wat2 0.00000 0.31900 0.09000 1.14000 0.09400 Wat3 0.00000 0.31600 0.39000 2.07000 0.09400 Wat4 0.33000 0.28700 0.54400 1.07000 0.09400 Wat5 0.50000 0.53300 0.15600 1.66000 0.09400