data_global _chemical_name_mineral 'Amicite' loop_ _publ_author_name 'Alberti A' 'Vezzalini G' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 35 _journal_year 1979 _journal_page_first 2866 _journal_page_last 2869 _publ_section_title ; The crystal structure of amicite, a zeolite ; _database_code_amcsd 0009695 _chemical_compound_source 'basaltic rock at Howenegg in Hegau, southern West Germany' _chemical_formula_sum 'K Na Al2 Si2 O10.765 H5.53' _cell_length_a 10.226 _cell_length_b 10.422 _cell_length_c 9.884 _cell_angle_alpha 90 _cell_angle_beta 88.19 _cell_angle_gamma 90 _cell_volume 1052.865 _exptl_crystal_density_diffrn 2.208 _symmetry_space_group_name_H-M 'I 1 2 1' 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' 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 0.30710 -0.00400 0.96920 1.00000 0.02647 Na 0.43120 0.25590 0.67160 1.00000 0.03204 Al1 0.15460 0.24910 0.15460 1.00000 0.00545 Al2 0.15820 0.00270 0.65120 1.00000 0.00557 Si1 0.15230 -0.01330 0.32610 1.00000 0.00583 Si2 0.15340 0.26150 0.82630 1.00000 0.00507 O1 0.00100 -0.04710 0.30370 1.00000 0.01532 O2 -0.00300 0.29560 0.20470 1.00000 0.01444 O3 0.20310 0.14010 0.73540 1.00000 0.01216 O4 0.18100 0.03040 0.47850 1.00000 0.01494 O5 0.17120 0.22640 0.98330 1.00000 0.01431 O6 0.19890 0.10180 0.22630 1.00000 0.01267 O7 0.26200 0.36100 0.21840 1.00000 0.01381 O8 0.75580 0.38120 0.21770 1.00000 0.00925 Wat1 0.34350 0.25070 0.45390 1.00000 0.03356 Wat2 0.47790 0.06820 0.21790 1.00000 0.03496 Wat3 0.00000 0.31910 0.50000 1.00000 0.03420 Wat4 0.50000 0.47290 0.50000 0.53000 0.02976 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 0.03175 0.02531 0.02274 0.00917 -0.00460 -0.00522 Na 0.02646 0.04182 0.02769 0.01457 -0.00307 -0.00887 Al1 0.00476 0.00605 0.00544 0.00000 0.00000 0.00104 Al2 0.00635 0.00495 0.00544 0.00108 0.00000 -0.00104 Si1 0.00635 0.00550 0.00544 0.00216 0.00051 0.00052 Si2 0.00529 0.00495 0.00494 0.00054 0.00000 0.00052 O1 0.00741 0.01816 0.02027 -0.00108 -0.00051 -0.00313 O2 0.00847 0.02036 0.01483 0.00216 0.00051 -0.00313 O3 0.01482 0.01101 0.01088 0.00162 -0.00153 -0.00313 O4 0.02170 0.01486 0.00841 -0.00270 -0.00051 0.00209 O5 0.01905 0.01541 0.00791 -0.00054 0.00000 0.00261 O6 0.01799 0.00605 0.01384 0.00270 0.00102 0.00313 O7 0.01641 0.00935 0.01533 -0.00378 -0.00153 0.00104 O8 0.01058 0.00825 0.00890 0.00432 -0.00205 -0.00104 Wat1 0.03387 0.04072 0.02670 -0.01187 -0.01023 0.00522 Wat2 0.02329 0.02971 0.05093 -0.00108 0.00870 0.00209 Wat3 0.03652 0.03192 0.03461 0.00000 -0.00767 0.00000 Wat4 0.04446 0.02256 0.02274 0.00000 -0.00921 0.00000