data_global _chemical_name_mineral 'Goosecreekite' loop_ _publ_author_name 'Rouse R C' 'Peacor D R' _journal_name_full 'American Mineralogist' _journal_volume 71 _journal_year 1986 _journal_page_first 1494 _journal_page_last 1501 _publ_section_title ; Crystal structure of the zeolite mineral goosecreekite, CaAl2Si6O16.5H2O ; _database_code_amcsd 0001062 _chemical_formula_sum 'Ca Si6 Al2 O16 H5' _cell_length_a 7.401 _cell_length_b 17.439 _cell_length_c 7.293 _cell_angle_alpha 90 _cell_angle_beta 105.44 _cell_angle_gamma 90 _cell_volume 907.308 _exptl_crystal_density_diffrn 1.917 _symmetry_space_group_name_H-M 'P 1 21 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,1/2+y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ca 0.65570 0.27210 0.19690 Si1 0.33740 0.47320 0.62820 Si2 0.31680 0.12940 0.59970 Si3 0.02190 0.25990 0.52490 Si4 0.10440 0.05780 0.86120 Si5 0.08920 0.38770 0.83250 Si6 0.23940 0.00450 0.27680 Al1 0.74820 0.12850 0.58870 Al2 0.06820 0.39820 0.26320 O1 0.72280 0.06120 0.41050 O2 0.53360 0.14780 0.63460 O3 0.83720 0.20970 0.50640 O4 0.90650 0.10010 0.79360 O5 0.26070 0.43920 0.80230 O6 0.26660 0.42260 0.44080 O7 0.55940 0.46620 0.70620 O8 0.20170 0.20650 0.51550 O9 0.26570 0.10690 0.79490 O10 0.25150 0.05960 0.45810 O11 0.08110 0.30510 0.72610 O12 0.96980 0.31790 0.34310 O13 0.90520 0.47180 0.21740 O14 0.17280 0.05850 0.09040 O15 0.12020 0.37410 0.05050 O16 0.90220 0.43460 0.73150 H2O1 0.35120 0.22340 0.09640 H2O2 0.65650 0.29890 0.87170 H2O3 0.51020 0.30630 0.45040 H2O4 0.75740 0.15300 0.10480 H2O5 0.56500 0.40740 0.15950 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 Ca 0.02063 0.02157 0.02353 -0.00252 0.00127 0.00062 Si1 0.01779 0.01078 0.01803 -0.00252 0.00864 0.00062 Si2 0.01341 0.01541 0.01552 -0.00063 0.00584 -0.00124 Si3 0.01470 0.00924 0.01552 -0.00063 0.00457 0.00124 Si4 0.01238 0.01541 0.01377 -0.00315 0.00432 -0.00124 Si5 0.01573 0.01387 0.01277 -0.00126 0.00584 -0.00124 Si6 0.01263 0.01233 0.01427 -0.00063 0.00305 0.00186 Al1 0.01160 0.01233 0.01477 0.00063 0.00330 0.00248 Al2 0.01624 0.00924 0.01402 0.00126 0.00508 0.00000 O1 0.03377 0.01849 0.02629 -0.00063 0.01194 0.00186 O2 0.02527 0.02157 0.02704 0.00189 0.01092 -0.00497 O3 0.01856 0.01078 0.02203 -0.00504 0.00762 0.00497 O4 0.02733 0.01849 0.02153 -0.00315 0.00762 0.00062 O5 0.02346 0.02157 0.02178 -0.00441 0.00635 0.00062 O6 0.02604 0.01078 0.02178 0.00126 0.00889 0.00373 O7 0.02888 0.02465 0.02954 -0.00504 0.01118 -0.00311 O8 0.02243 0.01541 0.02729 0.00063 0.01245 0.00000 O9 0.02475 0.01695 0.02253 -0.00504 0.00991 -0.00497 O10 0.03094 0.02465 0.01778 -0.00189 0.01067 0.00000 O11 0.03068 0.01695 0.01577 -0.00189 0.00406 -0.00124 O12 0.02862 0.01695 0.01903 0.00126 0.01397 0.00435 O13 0.03584 0.02157 0.03004 0.00315 0.02185 0.00683 O14 0.03481 0.01695 0.02904 -0.00378 0.01753 -0.00062 O15 0.02836 0.01541 0.03255 -0.00126 0.01524 0.00124 O16 0.02424 0.02003 0.03480 0.00441 0.00813 0.00000 H2O1 0.04228 0.05084 0.09639 -0.01828 0.03023 -0.02981 H2O2 0.09024 0.05701 0.04306 0.01008 0.02998 0.01118 H2O3 0.05414 0.04314 0.03680 0.00315 0.01372 0.00248 H2O4 0.08714 0.02773 0.04231 0.01702 0.03227 0.00497 H2O5 0.03017 0.02927 0.08337 -0.00063 0.01829 0.00435