Boggsite Zanardi S, Cruciani G, Alberti A, Galli E American Mineralogist 89 (2004) 1033-1042 Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study Note: Ca represents an unknown distribution across the Ca sites of [Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001] Note: Reported occupancies are discrepant with reported formula. Sample: BOG-150, T = 150 C _database_code_amcsd 0003580 20.299 23.746 12.814 90 90 90 Imma atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Al1 .18772 .18509 .6730 .22 .0348 .0373 .0278 .0392 -.0004 .0042 -.0032 Si1 .18772 .18509 .6730 .78 .0348 .0373 .0278 .0392 -.0004 .0042 -.0032 Al2 .18924 .02419 .3300 .30 .0370 .0407 .0393 .0309 .0012 -.0049 -.0014 Si2 .18924 .02419 .3300 .70 .0370 .0407 .0393 .0309 .0012 -.0049 -.0014 Al3 .07707 .18423 .8381 .23 .0358 .0334 .0284 .0454 .0007 .0024 .0038 Si3 .07707 .18423 .8381 .77 .0358 .0334 .0284 .0454 .0007 .0024 .0038 Al4 .07787 .02185 .1628 .23 .0339 .0324 .0382 .0311 .0016 -.0009 .0027 Si4 .07787 .02185 .1628 .77 .0339 .0324 .0382 .0311 .0016 -.0009 .0027 Al5 .21928 .08334 .5382 .04 .0338 .0351 .0322 .0341 -.0016 .0002 -.0061 Si5 .21928 .08334 .5382 .96 .0338 .0351 .0322 .0341 -.0016 .0002 -.0061 Al6 .12439 .08374 .9624 .03 .0352 .0349 .0325 .0380 -.0021 -.0022 .0060 Si6 .12439 .08374 .9624 .97 .0352 .0349 .0325 .0380 -.0021 -.0022 .0060 O1 .1827 .25 .6340 .055 .081 .032 .050 0 .003 0 O2 .1190 .1666 .7333 .055 .049 .052 .062 -.004 .015 -.005 O3 .1948 .1453 .5706 .060 .085 .042 .052 .013 .000 -.017 O4 .1922 .0710 .4228 .059 .080 .051 .044 .002 -.015 -.011 O5 .1170 .0315 .2726 .065 .057 .086 .052 .008 -.016 -.011 O6 .0880 .25 .8667 .058 .075 .029 .069 0 .004 0 O7 0 .1696 .8097 .063 .033 .062 .092 0 0 .006 O8 0 .0261 .1915 .071 .030 .090 .091 0 0 -.017 O9 .1869 .0393 .6189 .073 .113 .051 .053 -.013 .015 .003 O10 .1020 .1467 .9367 .062 .095 .035 .054 .009 -.009 .006 O11 .0985 .0678 .0756 .071 .103 .061 .047 -.005 .014 .017 O12 .2029 .0778 .9580 .091 .040 .122 .111 -.002 -.003 .028 O13 .0925 .0427 .8759 .068 .087 .047 .068 -.010 -.004 -.014 O14 .25 .1756 .75 .064 .055 .055 .081 0 -.021 0 O15 .25 -.0320 .75 .073 .055 .110 .053 0 -.015 0 Ca1 .0717 .0787 .6767 .278 .068 .075 .048 .080 -.009 -.018 .005 Ca2 0 .0278 .3690 .031 .059 Ca3 0 .1453 .0865 .083 .083 Wat1 .038 .077 .639 .31 .115 Wat2 .297 .226 .493 .14 .109 Wat3 .051 .079 .483 .16 .126 Wat4 0 .151 .588 .09 .123