data_9002903 _chemical_name 'Heulandite-Sr' loop_ _publ_author_name 'Dobelin N' 'Armbruster T' _journal_name_full "American Mineralogist" _journal_volume 88 _journal_year 2003 _journal_page_first 527 _journal_page_last 533 _publ_section_title ; Stepwise dehydration of Sr-exchanged heulandite: A single-crystal X-ray study Note: dehydrated at 100 deg C, measured at -170 deg C ; _chemical_formula_sum 'Sr2.094 (Si13.5 Al4.5) O48.49 H33.82' _cell_length_a 17.698 _cell_length_b 17.970 _cell_length_c 7.426 _cell_angle_alpha 90 _cell_angle_beta 116.653 _cell_angle_gamma 90 _cell_volume 2110.757 _symmetry_space_group_name_H-M 'C 1 m 1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2+y,z' '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_Uiso_or_equiv Sr1 0.14980 0.00000 0.68000 0.75200 0.02976 Sr2 0.85380 0.00000 0.34260 0.44200 0.04053 Sr3 0.46650 0.00000 0.81300 0.73000 0.01874 Sr4 0.47900 0.00000 0.75300 0.17000 0.02913 Si1 0.82230 0.82890 0.91280 0.75000 0.01393 Al1 0.82230 0.82890 0.91280 0.25000 0.01393 Si1* 0.17960 0.16920 0.09910 0.75000 0.01418 Al1* 0.17960 0.16920 0.09910 0.25000 0.01418 Si2 0.71370 0.90990 0.50810 0.75000 0.01646 Al2 0.71370 0.90990 0.50810 0.25000 0.01646 Si2* 0.28920 0.09040 0.50620 0.75000 0.01343 Al2* 0.28920 0.09040 0.50620 0.25000 0.01343 Si3 0.70640 0.69029 0.71930 0.75000 0.01343 Al3 0.70640 0.69029 0.71930 0.25000 0.01343 Si3* 0.29110 0.30864 0.28500 0.75000 0.01368 Al3* 0.29110 0.30864 0.28500 0.25000 0.01368 Si4 0.93600 0.70120 0.59220 0.75000 0.01418 Al4 0.93600 0.70120 0.59220 0.25000 0.01418 Si4* 0.06480 0.30050 0.41360 0.75000 0.01431 Al4* 0.06480 0.30050 0.41360 0.25000 0.01431 Si5 0.00220 0.78541 0.00660 0.75000 0.01494 Al5 0.00220 0.78541 0.00660 0.25000 0.01494 O1 0.70380 0.00000 0.47000 1.00000 0.03420 O1* 0.30670 0.00000 0.54800 1.00000 0.02406 O2 0.76710 0.87660 0.39100 1.00000 0.03800 O2* 0.22890 0.11840 0.61350 1.00000 0.02166 O3 0.81830 0.84600 0.12260 1.00000 0.02913 O3* 0.17880 0.15050 0.88120 1.00000 0.02546 O4 0.76560 0.89240 0.75370 1.00000 0.03293 O4* 0.24260 0.10960 0.25920 1.00000 0.01925 O5 0.99820 0.67390 0.49400 1.00000 0.03724 O6 0.91940 0.83780 0.94910 1.00000 0.02520 O6* 0.08370 0.15920 0.07830 1.00000 0.01735 O7 0.62440 0.73410 0.54820 1.00000 0.03546 O7* 0.36930 0.26350 0.45170 1.00000 0.03926 O8 0.99540 0.73680 0.81540 1.00000 0.02710 O8* 0.01150 0.27270 0.18350 1.00000 0.03014 O9 0.78910 0.74520 0.83280 1.00000 0.02318 O9* 0.20990 0.25470 0.17000 1.00000 0.02140 O10 0.88730 0.62750 0.61510 1.00000 0.02001 O10* 0.11790 0.37410 0.41020 1.00000 0.03546 Wat1 0.27890 0.00000 0.02700 1.00000 0.03800 Wat2 0.73400 0.00000 0.01100 1.00000 0.06079 Wat3 0.50810 0.00000 0.51300 1.00000 0.06713 Wat4 0.58950 0.90990 0.96400 1.00000 0.05573 Wat5 0.07740 0.00000 0.91100 0.81000 0.06079 Wat6 0.09860 0.00000 0.28800 0.80000 0.06713 Wat7 0.42280 0.08000 0.03700 0.91000 0.04813 Wat8 0.02100 0.08870 0.49100 0.67000 0.05826 Wat9 0.98500 0.09000 0.53000 0.40000 0.06459 Wat10 0.90900 0.00000 0.75400 0.60000 0.10639 Wat11 0.92100 0.00000 0.10800 0.73000 0.12032 Wat12 0.53700 0.00000 0.20000 0.40000 0.05003 Wat13 0.23800 0.00000 0.90000 0.19000 0.02660