Rogermitchellite McDonald A M, Chao G Y The Canadian Mineralogist 48 (2010) 267-278 Rogermitchellite, Na12(Sr,Na)24Ba4Zr26Si78(B,Si)12O246(OH)24*18H2O, a new mineral species from Mont Saint-Hilaire, Quebec: Description, structure determination and relationship with HFSE-bearing cyclosilicates Locality: Mont Saint-Hilaire, Quebec, Canada _database_code_amcsd 0006329 26.509 26.509 9.975 90 90 120 P-3c1 atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Na1 .9184 .8370 .499 .059 .046 .048 .088 .026 -.016 -.016 Sr1 .67649 .5817 .5005 .91 .017 .014 .017 .017 .006 .000 -.002 Na1 .67649 .5817 .5005 .09 .017 .014 .017 .017 .006 .000 -.002 Sr2 .9051 .5816 .4997 .89 .016 .015 .015 .018 .008 .003 .003 Na2 .9051 .5816 .4997 .11 .016 .015 .015 .018 .008 .003 .003 Ba 2/3 1/3 .5 .0196 .0158 .0158 .027 .0079 0 0 Zr1 .83860 .4193 .5 .0105 .0088 .013 .0087 .005 .0005 .000 Zr2 .8389 .67753 .4999 .0109 .012 .0120 .0087 .006 .002 .0001 Zr3 0 0 .5 .0073 .010 .010 .001 .0052 0 0 Si1 .9355 .6769 .2501 .010 .006 .004 .016 -.001 .000 .000 Si2 .6802 .4470 .2501 .007 .009 .002 .011 .005 .000 .000 Si3 .8086 .4892 .2498 .009 .009 .008 .010 .005 .000 .000 Si4 .9354 .4192 .2500 .011 .010 .014 .010 .006 .001 -.001 Si5 .7670 .5764 .2502 .010 .008 .009 .012 .004 -.001 .001 Si6 .9341 .7716 .7496 .014 .016 .013 .014 .006 -.001 -.003 Si7 0 .9042 .75 .010 .011 .014 .004 .005 -.001 .000 B1 0 .6148 .25 .78 .07 .03 .15 .07 .08 .02 .08 Si1 0 .6148 .25 .22 .07 .03 .15 .07 .08 .02 .08 B2 0 .6443 .75 .72 .05 .02 .02 .07 .00 -.11 .07 Si2 0 .6443 .75 .28 .05 .02 .02 .07 .00 -.11 .07 O1 .7727 .3561 .384 .010 .022 .008 .000 .008 -.011 -.009 O2 .9025 .4156 .387 .014 .014 .015 .007 .004 .006 .002 O3 .7030 .5183 .250 .013 .002 .000 .022 -.010 .004 .002 O4 .7723 .6120 .384 .019 .012 .005 .031 -.002 -.001 -.009 O5 0 .5222 .75 .009 .013 .010 .006 .006 -.002 -.001 O6 .8403 .6124 .617 .016 .015 .004 .025 .003 .009 .003 O7 .9010 .6729 .386 .012 .016 .006 .016 .008 .007 .000 O8 .9468 .5827 .751 .014 .018 .007 .022 .010 .001 .002 O9 .8399 .4839 .119 .011 .021 .006 .009 .008 .005 .000 O10 .7384 .4409 .251 .010 .000 .009 .018 .000 .004 .001 O11 .8403 .4842 .380 .014 .017 .012 .012 .006 -.001 -.002 O12 .9997 .9353 .616 .020 .023 .022 .014 .010 .003 .006 O13 .8149 .5537 .249 .011 .011 .003 .023 .006 .001 -.003 O14 .6434 .4162 .117 .011 .010 .010 .009 .001 -.009 .001 O15 .9026 .4874 .612 .015 .019 .022 .005 .011 .000 -.003 O16 0 .7359 .25 .014 .000 .014 .02 .000 .002 .001 O17 .9458 .6204 .250 .012 .012 .013 .015 .008 .001 .003 O18 0 .7798 .75 .017 .013 .010 .03 .006 .003 .001 O19 .9007 .6727 .114 .010 .014 .006 .012 .006 -.009 .005 O20 .9016 .7411 .615 .021 .019 .028 .017 .012 -.014 -.018 O21 .9426 .8380 .751 .022 .000 .013 .041 .005 .002 .005 O22 .8392 .7410 .384 .020 .024 .028 .013 .016 .003 .017 OH23 .9995 .5848 .377 .028 .042 .020 .02 .019 -.003 .016 OH24 .0000 .6728 .617 .029 .003 .040 .03 .001 .003 .002 Wat25 .9999 .8332 .411 .067 .08 .06 .07 .04 -.01 -.01 Wat26 0 .5 .5 .40 .1 Wat27 .999 .758 .961 .42 .1