data_global _chemical_name_mineral 'Amesite' loop_ _publ_author_name 'Anderson C S' 'Bailey S W' _journal_name_full 'American Mineralogist' _journal_volume 66 _journal_year 1981 _journal_page_first 185 _journal_page_last 195 _publ_section_title ; A new cation ordering pattern in amesite-2H2 ; _database_code_amcsd 0000809 _chemical_compound_source 'Saranovskoye chromite deposit, North Urals Mountains, USSR' _chemical_formula_sum 'Si1.026 Al1.989 Mg1.962 O9 H4' _cell_length_a 5.307 _cell_length_b 9.195 _cell_length_c 14.067 _cell_angle_alpha 90.1 _cell_angle_beta 90.3 _cell_angle_gamma 90 _cell_volume 686.429 _exptl_crystal_density_diffrn 2.692 _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 _atom_site_U_iso_or_equiv Si1 0.00000 0.00000 0.04100 0.51300 ? Al1 0.00000 0.00000 0.04100 0.48600 ? Si2 0.00230 0.33390 0.04250 0.51300 ? Al2 0.00230 0.33390 0.04250 0.48600 ? Si11 0.01360 0.00580 0.54100 0.51300 ? Al11 0.01360 0.00580 0.54100 0.48600 ? Si22 0.50730 0.17090 0.54240 0.51300 ? Al22 0.50730 0.19090 0.50240 0.48600 ? Mg1 0.16950 0.16830 0.23770 0.65400 ? Al1 0.16950 0.16830 0.23770 0.33900 ? Mg2 0.66980 -0.00310 0.23740 0.65400 ? Al2 0.66980 -0.00310 0.23740 0.33900 ? Mg3 0.67630 0.33350 0.23770 0.65400 ? Al3 0.67630 0.33350 0.23770 0.33900 ? Mg11 0.34340 0.34000 0.73800 0.65400 ? Al11 0.34340 0.34000 0.73800 0.33900 ? Mg22 0.34330 0.01150 0.73670 0.65400 ? Al22 0.34330 0.01150 0.73670 0.33900 ? Mg33 0.83720 0.17500 0.73810 0.65400 ? Al33 0.83720 0.17500 0.73810 0.33900 ? O1 -0.00470 -0.00190 0.15850 1.00000 ? O2 0.00660 0.33510 0.16590 1.00000 ? O3 0.97680 0.16030 0.00250 1.00000 ? O4 0.72280 -0.04220 0.00050 1.00000 ? O5 0.70270 0.38270 0.00230 1.00000 ? O11 0.02740 0.00920 0.65820 1.00000 ? O22 0.49790 0.16570 0.66590 1.00000 ? O33 0.28620 0.04780 0.49830 1.00000 ? O44 0.43300 0.34470 0.50360 1.00000 ? O55 0.80710 0.12290 0.50310 1.00000 ? O-h1 0.50710 0.16070 0.16560 1.00000 ? O-h2 0.34470 0.00040 0.30620 1.00000 ? O-h3 0.33880 0.33730 0.30710 1.00000 ? O-h4 0.83450 0.15940 0.30670 1.00000 ? O-h11 -0.00090 0.35230 0.66590 1.00000 ? O-h22 0.68590 0.35620 0.80570 1.00000 ? O-h33 0.65730 0.00780 0.80740 1.00000 ? O-h44 0.18150 0.16510 0.80700 1.00000 ? H1 0.50700 0.15600 0.10400 1.00000 0.02533 H2 0.30400 0.03700 0.36500 1.00000 0.02533 H3 0.36200 0.34600 0.36500 1.00000 0.02533 H4 0.81800 0.13300 0.36800 1.00000 0.02533 H11 0.98200 0.38700 0.62400 1.00000 0.02533 H22 0.68900 0.38200 0.86900 1.00000 0.02533 H33 0.67700 0.96200 0.86300 1.00000 0.02533 H44 0.14500 0.15100 0.87100 1.00000 0.02533 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 0.01940 0.01499 0.01403 0.00321 0.00113 -0.00066 Al1 0.01940 0.01499 0.01403 0.00321 0.00113 -0.00066 Si2 0.01741 0.01328 0.01604 0.00198 0.00189 -0.00131 Al2 0.01741 0.01328 0.01604 0.00198 0.00189 -0.00131 Si11 0.01955 0.01328 0.01604 0.00297 0.00113 -0.00066 Al11 0.01955 0.01328 0.01604 0.00297 0.00113 -0.00066 Si22 0.01983 0.01371 0.01303 0.00148 0.00038 -0.00066 Al22 0.01983 0.01371 0.01303 0.00148 0.00038 -0.00066 Mg1 0.01641 0.01371 0.01504 0.00099 0.00189 0.00000 Al1 0.01641 0.01371 0.01504 0.00099 0.00189 0.00000 Mg2 0.01926 0.01670 0.01804 0.00198 0.00076 -0.00066 Al2 0.01926 0.01670 0.01804 0.00198 0.00076 -0.00066 Mg3 0.01655 0.01328 0.01504 0.00247 0.00113 -0.00131 Al3 0.01655 0.01328 0.01504 0.00247 0.00113 -0.00131 Mg11 0.01783 0.01328 0.01604 0.00198 0.00038 -0.00197 Al11 0.01783 0.01328 0.01604 0.00198 0.00038 -0.00197 Mg22 0.01883 0.01285 0.01504 0.00099 0.00076 0.00000 Al22 0.01883 0.01285 0.01504 0.00099 0.00076 0.00000 Mg33 0.01855 0.01371 0.01604 0.00297 0.00076 -0.00066 Al33 0.01855 0.01371 0.01604 0.00297 0.00076 -0.00066 O1 0.03139 0.02527 0.01403 0.00494 -0.00076 -0.00131 O2 0.02140 0.01713 0.01604 0.00371 0.00038 0.00000 O3 0.02568 0.01585 0.02205 0.00198 0.00340 -0.00262 O4 0.01997 0.02056 0.02205 0.00000 0.00038 0.00197 O5 0.01855 0.01542 0.02205 0.00396 -0.00076 -0.00197 O11 0.02283 0.01885 0.01403 0.00321 0.00151 0.00066 O22 0.02140 0.01713 0.01504 0.00049 0.00113 -0.00066 O33 0.01997 0.01885 0.02205 0.00173 0.00038 -0.00655 O44 0.02568 0.01542 0.02105 0.00445 -0.00378 0.00131 O55 0.02140 0.01670 0.02205 0.00593 0.00340 0.00000 O-h1 0.03567 0.03341 0.01403 0.00000 0.00189 -0.00197 O-h2 0.03282 0.02827 0.01504 -0.00816 0.00378 -0.00262 O-h3 0.03424 0.01799 0.01504 0.00346 0.00000 0.00131 O-h4 0.01997 0.04326 0.01403 0.00667 0.00340 0.00328 O-h11 0.02854 0.02184 0.01403 0.00346 0.00038 0.00131 O-h22 0.02283 0.02184 0.01604 0.00074 0.00189 -0.00393 O-h33 0.02568 0.01799 0.01504 0.00074 -0.00038 0.00131 O-h44 0.02996 0.01799 0.01403 0.00494 0.00189 0.00262