data_global _chemical_name_mineral 'Willhendersonite' loop_ _publ_author_name 'Fischer R X' 'Kahlenberg V' 'Lengauer C L' 'Tillmanns E' _journal_name_full 'American Mineralogist' _journal_volume 93 _journal_year 2008 _journal_page_first 1317 _journal_page_last 1325 _publ_section_title ; Thermal behavior and structural transformation in the chabazite-type zeolite willhendersonite, KCaAl3Si3O12*5H2O Note: T = 373K ; _database_code_amcsd 0004628 _chemical_compound_source 'Mayen, Eifel district, Germany' _chemical_formula_sum 'K1.537 Ca.987 Al3 Si3 O15.82 H7.64' _cell_length_a 9.205 _cell_length_b 9.231 _cell_length_c 9.442 _cell_angle_alpha 92.550 _cell_angle_beta 93.086 _cell_angle_gamma 90.519 _cell_volume 800.290 _exptl_crystal_density_diffrn 2.181 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-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 K1 0.47810 0.97400 0.48320 0.42700 0.06400 K2 0.49280 0.55760 0.14000 1.00000 0.09600 K3 0.49100 0.54600 0.04700 0.11000 0.11000 Ca 0.20480 0.20780 0.21200 0.98700 0.02010 Al12a 0.34630 0.09650 0.85250 1.00000 0.01520 Al12b 0.89240 0.31090 0.09210 1.00000 0.01560 Al12c 0.08950 0.84700 0.34300 1.00000 0.01530 Si11a 0.31170 0.89990 0.11100 1.00000 0.01540 Si11b 0.11140 0.34840 0.85650 1.00000 0.01490 Si11c 0.85090 0.10250 0.33980 1.00000 0.01470 O11 0.75170 0.23620 0.98420 1.00000 0.02340 O12 0.69240 0.05550 0.26490 1.00000 0.02030 O13 0.97380 0.31510 0.74420 1.00000 0.01930 O21 0.15780 0.51690 0.85020 1.00000 0.02280 O22 0.47250 0.86160 0.17230 1.00000 0.02390 O23 0.82450 0.18660 0.49190 1.00000 0.02110 O31 0.25260 0.25430 0.81960 1.00000 0.01930 O32 0.94170 0.20560 0.23860 1.00000 0.02030 O33 0.78840 0.05590 0.75620 1.00000 0.02170 O41 0.06330 0.31100 0.01620 1.00000 0.02140 O42 0.31220 0.05090 0.02670 1.00000 0.02270 O43 0.06140 0.04500 0.63400 1.00000 0.02010 Wat1 0.22810 0.46600 0.27730 1.00000 0.05400 Wat2 0.46750 0.25780 0.25070 1.00000 0.05500 Wat3 0.23980 0.20940 0.47270 1.00000 0.04800 Wat4 0.29570 0.53820 0.58740 0.82000 0.09100