Killalaite Armbruster T, Lazic B, Galuskina I O, Galuskin E V, Gnos E, Marzec K M, Gazeev V M Mineralogical Magazine 76 (2012) 455-472 Trabzonite, Ca4[Si3O9(OH)]OH: crystal structure, revised formula, new occurrence and relation to killalaite Locality: Northern Caucasus, Russia _database_code_amcsd 0018997 6.824 15.465 6.839 90 97.692 90 P2_1/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) Ca1 .3324 -.09374 .9295 .0217 .0213 .0167 .0268 -.0027 .0020 -.0026 Ca2 .7197 -.10117 .3315 .0297 .0272 .0315 .0306 .0075 .0049 .0131 Ca3 .0084 .25 .3351 .0300 .062 .0104 .0190 .000 .0088 .000 Ca4 .9196 .25 .8314 .0332 .067 .0116 .0197 .000 .0005 .000 Ca5 .5216 .25 .4815 .320 .013 .013 .008 .018 .000 .000 .000 H2 .555 -.131 .67 .68 .050 Si1 .8142 -.08700 .8382 .0205 .0209 .0170 .0236 .0025 .0027 .0039 Si2 .7798 .08307 .5996 .0159 .0191 .0106 .0180 -.0009 .0023 .0011 O1 .6784 -.0583 .0010 .0182 .019 .016 .020 .003 .003 -.002 O2 .6904 -.1461 .6641 .0306 .023 .044 .024 -.009 -.001 -.002 O3 .0039 -.1438 .9203 .0212 .030 .012 .021 .002 .003 .001 O4 .6701 .0487 .3904 .0379 .050 .037 .025 -.022 .000 -.005 O5 .6296 .1308 .7326 .0270 .027 .021 .035 .006 .009 -.002 O6 .9547 .1509 .5740 .0235 .031 .015 .025 -.006 .005 .003 O7 .8861 -.0004 .7243 .0386 .028 .024 .068 .007 .018 .018 O8 .2761 .25 .763 .055 .040 .013 .102 .000 -.022 .000 O9 .6614 .25 .1541 .029 .026 .018 .044 .000 .008 .000 H8 .418 .25 .77 .050 H9 .54 .25 .22 .050