data_global _chemical_name_mineral 'Cookeite' loop_ _publ_author_name 'Zheng H' 'Bailey S W' _journal_name_full 'American Mineralogist' _journal_volume 82 _journal_year 1997 _journal_page_first 1007 _journal_page_last 1013 _publ_section_title ; Refinement of the cookeite "r" structure ; _database_code_amcsd 0001949 _chemical_formula_sum 'Al4.99 Li.86 Si3.04 H8 O18' _cell_length_a 5.158 _cell_length_b 8.940 _cell_length_c 28.498 _cell_angle_alpha 90 _cell_angle_beta 96.6 _cell_angle_gamma 90 _cell_volume 1305.406 _exptl_crystal_density_diffrn 2.656 _symmetry_space_group_name_H-M 'C 1 c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+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 Al1 0.49160 0.50040 0.00010 1.00000 Al2 0.48960 0.83680 0.00000 1.00000 Al3 0.50170 -0.00510 0.25020 0.91000 Li3 0.50170 -0.00510 0.25020 0.09000 Al4 0.50230 0.32430 0.25020 0.91000 Li4 0.50230 0.32430 0.25020 0.09000 Li 0.50050 0.66810 0.25090 0.68000 Al 0.50050 0.66810 0.25090 0.21000 Si1 0.38850 -0.01140 0.09590 0.85000 Al1 0.38850 -0.01140 0.09590 0.15000 Si2 0.40010 0.65700 0.09560 0.85000 Al2 0.40010 0.65700 0.09560 0.15000 Si3 0.58680 0.32820 0.40480 0.85000 Al3 0.58680 0.32820 0.40480 0.15000 Si4 0.59540 0.65800 0.40410 0.49000 Al4 0.59540 0.65800 0.40410 0.51000 H1 0.38650 0.31740 0.06750 1.00000 H2 0.53540 -0.00150 0.43550 1.00000 H3 0.13050 -0.01080 0.18160 1.00000 H4 0.13980 0.33830 0.17870 1.00000 H5 0.10560 0.65780 0.18100 1.00000 H6 0.37760 0.18390 0.31980 1.00000 H7 0.37610 0.48850 0.31860 1.00000 H8 0.36610 0.83870 0.32200 1.00000 O1 0.11270 0.61580 0.11300 1.00000 O2 0.48180 0.82340 0.11840 1.00000 O3 0.62770 0.54170 0.12030 1.00000 O4 0.32030 -0.02610 0.03810 1.00000 O5 0.40500 0.66840 0.03780 1.00000 O6 0.36490 0.20950 0.37990 1.00000 O7 0.51120 0.49100 0.37910 1.00000 O8 0.86320 0.28220 0.38390 1.00000 O9 0.58400 0.33190 0.46310 1.00000 O10 0.65550 0.64240 0.46310 1.00000 O-h1 0.32430 0.35860 0.03730 1.00000 O-h2 0.65670 0.01970 0.46280 1.00000 O-h3 0.15280 -0.01500 0.21570 1.00000 O-h4 0.16040 0.34290 0.21420 1.00000 O-h5 0.12300 0.65950 0.21380 1.00000 O-h6 0.38200 0.15940 0.28680 1.00000 O-h7 0.34970 0.48270 0.28490 1.00000 O-h8 0.34090 0.84520 0.28720 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 Al1 0.00240 0.00290 0.00960 -0.00030 0.00150 0.00050 Al2 0.01460 0.01440 0.01750 0.00020 0.00220 -0.00020 Al3 0.01650 0.01650 0.01860 0.00000 0.00220 0.00000 Li3 0.01650 0.01650 0.01860 0.00000 0.00220 0.00000 Al4 0.01070 0.01050 0.01390 0.00030 0.00200 0.00000 Li4 0.01070 0.01050 0.01390 0.00030 0.00200 0.00000 Li 0.00700 0.00690 0.00690 -0.00010 0.00070 0.00000 Al 0.00700 0.00690 0.00690 -0.00010 0.00070 0.00000 Si1 0.01390 0.01420 0.01840 -0.00020 0.00260 -0.00020 Al1 0.01390 0.01420 0.01840 -0.00020 0.00260 -0.00020 Si2 0.01020 0.01000 0.01520 -0.00090 0.00230 -0.00010 Al2 0.01020 0.01000 0.01520 -0.00090 0.00230 -0.00010 Si3 0.02930 0.02930 0.03110 0.00060 0.00370 -0.00040 Al3 0.02930 0.02930 0.03110 0.00060 0.00370 -0.00040 Si4 0.00210 0.00240 0.00980 0.00050 0.00210 0.00000 Al4 0.00210 0.00240 0.00980 0.00050 0.00210 0.00000 O1 0.03710 0.03720 0.03750 0.00010 0.00450 -0.00010 O2 0.02200 0.02210 0.02260 0.00000 0.00260 0.00070 O3 0.02320 0.02330 0.02380 0.00000 0.00290 0.00010 O4 0.01730 0.01750 0.01820 -0.00010 0.00220 0.00000 O5 0.02200 0.02220 0.02270 0.00000 0.00270 0.00000 O6 0.02270 0.02300 0.02340 0.00000 0.00280 -0.00010 O7 0.02830 0.02830 0.02890 0.00000 0.00320 0.00010 O8 0.02610 0.02640 0.02690 0.00000 0.00330 0.00000 O9 0.00330 0.00390 0.00510 0.00030 0.00100 0.00010 O10 0.00970 0.00970 0.01060 -0.00010 0.00150 0.00020 O-h1 0.00740 0.00690 0.00830 0.00020 0.00100 -0.00010 O-h2 0.00540 0.00550 0.00650 -0.00030 0.00110 0.00000 O-h3 0.02040 0.02040 0.02060 -0.00020 0.00220 0.00000 O-h4 0.00820 0.00840 0.00900 0.00010 0.00090 0.00000 O-h5 0.00890 0.00850 0.00920 0.00010 0.00130 -0.00010 O-h6 0.01640 0.01640 0.01690 -0.00010 0.00210 -0.00010 O-h7 0.03450 0.03460 0.03470 0.00010 0.00410 0.00000 O-h8 0.02830 0.02820 0.02850 0.00000 0.00330 0.00010