data_global _chemical_name_mineral 'Amesite' loop_ _publ_author_name 'Wiewiora A' 'Rausell Colom J A' 'Garcia Gonzalez T' _journal_name_full 'American Mineralogist' _journal_volume 76 _journal_year 1991 _journal_page_first 647 _journal_page_last 652 _publ_section_title ; The crystal structure of amesite from Mount Sobotka: a nonstandard polytype ; _database_code_amcsd 0001361 _chemical_compound_source 'Mount Sobotka, lower Silesia, Poland' _chemical_formula_sum 'Si1.075 Al1.849 Mg2.076 O9 H4' _cell_length_a 5.31 _cell_length_b 9.212 _cell_length_c 14.401 _cell_angle_alpha 102.11 _cell_angle_beta 90.2 _cell_angle_gamma 90.1 _cell_volume 688.753 _exptl_crystal_density_diffrn 2.686 _symmetry_space_group_name_H-M 'C 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si1 0.00000 0.00000 0.04000 0.76000 Al1 0.00000 0.00000 0.04000 0.24000 Si2 0.01110 0.33940 0.03610 0.30000 Al2 0.01110 0.33940 0.03610 0.70000 Si11 0.51210 -0.00030 0.53930 0.76000 Al11 0.51210 -0.00030 0.53930 0.24000 Si22 0.02670 0.16930 0.53560 0.33000 Al22 0.02670 0.16930 0.53560 0.67000 Mg1 0.16670 0.23770 0.23410 0.69200 Al1 0.16670 0.23770 0.23410 0.30800 Mg2 0.66790 0.07030 0.23370 0.69200 Al2 0.66790 0.07030 0.23370 0.30800 Mg3 0.66610 0.40650 0.23260 0.69200 Al3 0.66610 0.40650 0.23260 0.30800 Mg11 0.84290 0.40340 0.73260 0.69200 Al11 0.84290 0.40340 0.73260 0.30800 Mg22 0.84150 0.07110 0.73370 0.69200 Al22 0.84150 0.07110 0.73370 0.30800 Mg33 0.33970 0.23600 0.73310 0.69200 Al33 0.33970 0.23600 0.73310 0.30800 O1 -0.00460 0.04330 0.15630 1.00000 O2 -0.01690 0.37920 0.15850 1.00000 O3 0.06650 0.15410 0.00350 1.00000 O4 0.72210 -0.03840 -0.00650 1.00000 O5 0.72010 0.38410 0.00270 1.00000 O11 0.50580 0.04350 0.66050 1.00000 O22 0.01970 0.20970 0.65860 1.00000 O33 0.79960 0.03260 0.50920 1.00000 O44 0.92690 0.32920 0.49780 1.00000 O55 0.29510 0.09650 0.49480 1.00000 O-H1 0.49080 0.21310 0.15950 1.00000 O-H2 0.31700 0.09400 0.30600 1.00000 O-H3 0.33200 0.42710 0.30400 1.00000 O-H4 0.81960 0.26360 0.30510 1.00000 O-H11 0.50990 0.37920 0.65950 1.00000 O-H22 0.18510 0.42700 0.80630 1.00000 O-H33 0.19190 0.09830 0.80570 1.00000 O-H44 0.68500 0.26390 0.80390 1.00000 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 Si1 0.00700 0.00600 0.01200 0.00300 -0.00200 0.00300 Al1 0.00700 0.00600 0.01200 0.00300 -0.00200 0.00300 Si2 0.00600 0.00700 0.01800 0.00100 0.00100 0.00400 Al2 0.00600 0.00700 0.01800 0.00100 0.00100 0.00400 Si11 0.00800 0.00700 0.01500 -0.00100 0.00100 0.00200 Al11 0.00800 0.00700 0.01500 -0.00100 0.00100 0.00200 Si22 0.01000 0.01000 0.01500 0.00200 -0.00200 0.00400 Al22 0.01000 0.01000 0.01500 0.00200 -0.00200 0.00400 Mg1 0.01000 0.00300 0.01900 0.00000 -0.00200 0.00500 Al1 0.01000 0.00300 0.01900 0.00000 -0.00200 0.00500 Mg2 0.00900 0.00400 0.01800 0.00200 0.00000 0.00500 Al2 0.00900 0.00400 0.01800 0.00200 0.00000 0.00500 Mg3 0.00800 0.01100 0.01400 -0.00200 0.00000 0.00500 Al3 0.00800 0.01100 0.01400 -0.00200 0.00000 0.00500 Mg11 0.01300 0.00900 0.01300 0.00200 0.00200 0.00100 Al11 0.01300 0.00900 0.01300 0.00200 0.00200 0.00100 Mg22 0.01100 0.01100 0.01400 0.00100 0.00100 0.00100 Al22 0.01100 0.01100 0.01400 0.00100 0.00100 0.00100 Mg33 0.01500 0.02200 0.01100 -0.00300 0.00000 -0.00100 Al33 0.01500 0.02200 0.01100 -0.00300 0.00000 -0.00100 O1 0.00500 0.00800 0.01700 -0.00100 0.00100 0.00200 O2 0.00800 0.00600 0.01500 0.00000 -0.00100 0.00400 O3 0.02400 0.00900 0.03000 0.00500 0.00300 0.00800 O4 0.02800 0.01500 0.01900 -0.00500 -0.00200 0.01000 O5 0.03800 0.00700 0.02600 0.01400 -0.00100 0.00300 O11 0.00700 0.00800 0.02400 0.00300 0.00300 0.00300 O22 0.00800 0.00800 0.01900 0.00500 0.00300 0.00200 O33 0.02000 0.01600 0.03400 -0.00500 0.00800 0.00000 O44 0.01500 0.01900 0.05800 -0.00700 0.00200 -0.00400 O55 0.02700 0.01100 0.03500 -0.00100 0.00200 0.00700 O-H1 0.00500 0.00500 0.01800 0.00000 0.00100 0.00300 O-H2 0.01300 0.00800 0.02500 0.00000 -0.00500 0.00400 O-H3 0.00800 0.00800 0.03100 0.00100 -0.00200 0.00600 O-H4 0.01300 0.00800 0.02900 -0.00100 -0.00200 0.00400 O-H11 0.00700 0.01200 0.02500 0.00000 0.00400 -0.00300 O-H22 0.00800 0.00700 0.02200 -0.00200 -0.00100 0.01000 O-H33 0.00900 0.00500 0.02000 0.00200 -0.00200 0.00900 O-H44 0.01200 0.00600 0.02500 0.00000 0.00000 0.00700