data_global _chemical_name_mineral 'Ferrierite-Mg' loop_ _publ_author_name 'Alberti A' 'Sabelli C' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 178 _journal_year 1987 _journal_page_first 249 _journal_page_last 256 _publ_section_title ; Statistical and true symmetry of ferrierite: possible absence of straight T-O-T bridging bonds ; _database_code_amcsd 0010964 _chemical_compound_source 'Monastir, Sardinia, Italy' _chemical_formula_sum 'K.82 Mg (Si15.72 Al2.28) O47.56 H23.12' _cell_length_a 19.2310 _cell_length_b 14.145 _cell_length_c 7.499 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2039.897 _exptl_crystal_density_diffrn 2.188 _symmetry_space_group_name_H-M 'I m m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' 'x,-y,z' '1/2+x,1/2-y,1/2+z' '-x,y,-z' '1/2-x,1/2+y,1/2-z' '-x,y,z' '1/2-x,1/2+y,1/2+z' 'x,-y,-z' '1/2+x,1/2-y,1/2-z' 'x,y,-z' '1/2+x,1/2+y,1/2-z' '-x,-y,z' '1/2-x,1/2-y,1/2+z' '-x,-y,-z' '1/2-x,1/2-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 K 0.42540 0.00000 0.00000 0.41000 0.07346 Mg 0.00000 0.00000 0.50000 1.00000 0.03546 Si1 0.15500 0.00000 0.00000 0.88000 0.01646 Al1 0.15500 0.00000 0.00000 0.12000 0.01646 Si2 0.08380 0.20230 0.00000 0.69000 0.01393 Al2 0.08380 0.20230 0.00000 0.31000 0.01393 Si3 0.27150 0.00000 0.29220 0.88000 0.02026 Al3 0.27150 0.00000 0.29220 0.12000 0.02026 Si4 0.32310 0.20260 0.20690 0.96000 0.01520 Al4 0.32310 0.20260 0.20690 0.04000 0.01520 O1 0.00000 0.21580 0.00000 1.00000 0.03293 O2 0.24950 0.00000 0.50000 1.00000 0.03673 O3 0.10290 0.08920 0.00000 1.00000 0.05066 O4 0.20190 0.00000 0.17770 1.00000 0.06079 O5 0.25000 0.25000 0.25000 1.00000 0.05066 O6 0.15640 0.28130 0.50000 1.00000 0.04053 O7 0.11510 0.25050 0.18220 1.00000 0.03800 O8 0.32090 0.09120 0.24700 1.00000 0.04433 Wat1 0.00000 0.00000 0.23510 1.00000 0.04306 Wat2 0.09820 0.06680 0.50000 0.50000 0.06459 Wat3 0.04580 0.13290 0.50000 0.50000 0.13298 Wat4 0.00000 0.42120 0.20710 0.50000 0.32296 Wat5 0.00000 0.65680 0.36700 0.50000 0.21024 Wat6 0.05380 0.50000 0.25640 0.39000 0.07346 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 K 0.06000 0.05700 0.10200 0.00000 0.00000 0.00000 Mg 0.03500 0.05300 0.01900 0.00000 0.00000 0.00000 Si1 0.02400 0.01400 0.01300 0.00000 0.00000 0.00000 Al1 0.02400 0.01400 0.01300 0.00000 0.00000 0.00000 Si2 0.02000 0.01300 0.00900 -0.00200 0.00000 0.00000 Al2 0.02000 0.01300 0.00900 -0.00200 0.00000 0.00000 Si3 0.03000 0.01900 0.01300 0.00000 -0.00100 0.00000 Al3 0.03000 0.01900 0.01300 0.00000 -0.00100 0.00000 Si4 0.02300 0.01700 0.00500 0.00000 -0.00100 -0.00100 Al4 0.02300 0.01700 0.00500 0.00000 -0.00100 -0.00100 O1 0.02200 0.03700 0.03900 0.00000 0.00000 0.00000 O2 0.06800 0.03400 0.00800 0.00000 0.00000 0.00000 O3 0.04400 0.03000 0.07800 0.01000 0.00000 0.00000 O4 0.04500 0.09800 0.03700 0.00000 -0.02100 0.00000 O5 0.04600 0.05100 0.05500 0.02100 0.00100 -0.00400 O6 0.06300 0.05800 0.00000 -0.01500 0.00000 0.00000 O7 0.04200 0.07100 0.02500 -0.00900 -0.01100 -0.02800 O8 0.06200 0.02400 0.05100 0.00000 0.01200 -0.01300 Wat1 0.03900 0.07100 0.02000 0.00000 0.00000 0.00000 Wat2 0.04000 0.13100 0.02200 -0.03100 0.00000 0.00000 Wat3 0.21000 0.13700 0.05000 -0.14100 0.00000 0.00000 Wat4 0.18000 0.32000 0.46900 0.00000 0.00000 -0.27500 Wat5 0.03000 0.30900 0.29100 0.00000 0.00000 0.20100 Wat6 0.03600 0.06700 0.11700 0.00000 -0.01900 0.00000