Clinoptilolite-Ca Armbruster T American Mineralogist 78 (1993) 260-264 Dehydration mechanism of clinoptilolite and heulandite: Single-crystal X-ray study of Na-poor, Ca-, K-, Mg-rich clinoptilolite at 100 K Sample Dehyd 1 Data obtained from the ICSD _database_code_amcsd 0001548 17.588 17.572 7.389 90 116.77 90 C2/m atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Si1 .1803 .1655 .0958 .8 .0133 .0287 .0182 -.0025 .0085 .0012 Al1 .1803 .1655 .0958 .2 .0133 .0287 .0182 -.0025 .0085 .0012 Si2 .2941 .0896 .506 .7 .0232 .0185 .0221 -.0006 .0126 .0001 Al2 .2941 .0896 .506 .3 .0232 .0185 .0221 -.0006 .0126 .0001 Si3 .2879 .3127 .2758 .83 .0211 .0262 .0180 -.0003 .0118 .0003 Al3 .2879 .3127 .2758 .17 .0211 .0262 .0180 .0211 .0118 .0003 Si4 .0651 .2915 .4132 .84 .0181 .0298 .0186 -.0026 .0096 -.0011 Al4 .0651 .2915 .4132 .16 .0181 .0298 .0186 -.0026 .0096 -.0011 Si5 0 .2075 0 .92 .0167 .0259 .0172 0 .0071 0 Al5 0 .2075 0 .08 .0167 .0259 .0172 0 .0071 0 O1 .3159 0 .5552 .0680 .0230 .0440 0 .0160 0 O2 .2418 .1179 .6282 .0640 .0610 .0650 -.0100 .0510 -.0220 O3 .1885 .1464 -.1109 .0400 .0470 .0300 -.0140 .0200 -.0060 O4 .2394 .103 .2607 .05 .0260 .0450 .0280 .0070 .0060 .0070 O5 0 .3167 .5 .0800 .0740 .0710 0 .0680 0 O6 .082 .1537 .0555 .0170 .0350 .0400 .0000 .0150 .0030 O7 .3703 .272 .4495 .0470 .0490 .0510 .0100 -.0040 .0210 O8 .0116 .2615 .1858 .0450 .0530 .0300 .0010 .0100 -.0190 O9 .2107 .2525 .1688 .0310 .0290 .0370 -.0080 .0220 -.0050 O10 .1137 .3681 .4038 .0370 .0500 .0470 -.0180 .0130 .0020 Na .195 0 .76 .28 .0900 .0200 .0800 0 .0600 0 Ca .4632 0 .748 .222 .0460 .0740 .0500 0 -.0050 0 Ba .2413 .5 .057 .08 .1220 .0190 .0870 0 .0750 0 K1 .2413 .5 .057 .33 .1220 .0190 .0870 0 .0750 0 K2 .23 0 -.011 .06 0.05 K3 .215 0 .14 .03 0.05 OH11 .083 0 .878 .36 .0800 .0400 .1400 0 -.0100 0 OH12 .433 .918 .037 .41 .4400 .1300 .1200 .1100 -.1300 -.0500 OH13 0 .5 .5 .62 .1800 .1400 .2400 0 .1400 0 OH14 .101 0 .112 .19