Liottite Ballirano P, Merlino S, Bonaccorsi E, Maras A The Canadian Mineralogist 34 (1996) 1021-1030 The crystal structure of liottite, a six-layer member of the cancrinite group _database_code_amcsd 0005509 12.870 12.870 16.096 90 90 120 P-6 atom x y z occ Uiso Si1 .9954 .7437 0 .0077 Al1 .3339 .4088 .83304 .0081 Si2 .67182 .08217 .66374 .0075 Al2 .3364 .4097 .5 .0071 Si3 .58517 .66611 .83287 .0077 Al3 .7378 .7488 0 .0076 Si4 .5873 .6700 .5 .0072 Al4 .9282 .3431 .66345 .0079 O1 .8771 .1258 0 .0250 O2 .1025 .8798 0 .0207 O3 .9943 .6706 .9182 .0190 O4 .6631 .6698 .9119 .0203 O5 .2179 .7886 .8253 .0209 O6 .4501 .5552 .8386 .0209 O7 .3463 .3310 .7491 .0179 O8 .6574 .6560 .7543 .0193 O9 .5464 .4367 .6545 .0170 O10 .7933 .2105 .6632 .0266 O11 .6772 .0062 .5856 .0179 O12 .6659 .6735 .5794 .0177 O13 .2173 .7836 .5 .0197 O14 .4540 .5557 .5 .0148 Ca1 1/3 2/3 .5 .0162 Ca2 1/3 2/3 .8330 .0172 Ca3 0 0 .9783 .5 .0219 Ca4 2/3 1/3 .3915 .5 .0191 Ca5 2/3 1/3 .3436 .5 .0294 K1 .8463 .1651 .5 .0170 K1a .857 .143 .5 .0170 K2 .1125 .8864 .6651 .0392 K2a .145 .851 .675 .0392 K3 .8364 .1722 .8313 .0248 K3a .816 .191 .847 .0248 K4 .5543 .4458 0 .0338 F .7476 .2700 .5 .167 .0256 Cl1 1/3 2/3 0 .0732 Cl2 2/3 1/3 .5 .5 .1608 Cl3 1/3 2/3 .3335 .0742 S1 0 0 .7971 .5 .0172 S1' .977 .013 .7874 .167 .0338 S2 .0357 .017 .5 1/3 .0348 S3 2/3 1/3 .8568 .0410 OS1a 0 0 .886 .5 .1005 OS1b .1213 .0582 .7676 2/3 .0738 OS1c .056 .094 .723 1/6 .1154 OS1d .119 .054 .845 1/3 .0864 OS2a .119 .058 .426 1/3 .0649 OS2b .110 .051 .479 1/3 .1349 OS3a 2/3 1/3 .2409 .5 .0350 OS3b .7285 .4595 .8789 2/3 .0366 OS3c .692 .298 .211 1/6 .0931 OS3d .728 .288 .913 1/3 .1281