Manitobaite Tait K T, Ercit T S, Abdu Y A, Cerny P, Hawthorne F C The Canadian Mineralogist 49 (2011) 1221-1242 The crystal structure and crystal chemistry of manitobaite, ideally (Na16_)Mn2+25Al8(PO4)30, from Cross Lake, Manitoba Note: brown sample Locality: Cross Lake, Manitoba, Canada _database_code_amcsd 0018619 13.4499 12.5046 26.6148 90 101.221 90 Pc atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Mn1 .275289 .488393 .535181 .01113 .00980 .01328 .01084 -.00104 .00330 .00029 Mn2 .084665 .511012 .235879 .00369 .00533 .00499 .00107 -.00011 .00140 -.00087 Mn3 .388493 .013166 .429833 .00539 .00481 .00521 .00637 .00017 .00163 -.00085 Mn4 .039362 .253828 -.212158 .01915 .01595 .01367 .02879 -.00095 .00670 -.00128 Mn5 .223740 .247211 .577391 .01022 .00467 .00353 .02546 -.00087 .01037 .00149 Mn6 .875860 .487213 -.063037 .01339 .01544 .01344 .01058 .00100 .00072 .00222 Mn7 .434902 .248667 .381585 .01324 .00891 .00537 .02676 .00347 .00673 -.00044 Mn8 .829743 .252777 -.016628 .01397 .01060 .00878 .02342 -.00442 .00548 -.00223 Mn9 .180012 -.011333 .131105 .01787 .02006 .01786 .01454 .00237 .00056 -.00111 Mn10 -.010780 -.011785 .331872 .00716 .00968 .00604 .00530 -.00298 .00031 -.00163 Fe1 .198527 .398349 .346680 .00923 .01055 .00785 .01027 .00015 .00443 .00096 Fe2 .597455 .397580 -.054478 .01133 .01370 .00906 .01114 .00164 .00220 .00369 Fe3 .992960 .603527 .048612 .00666 .00884 .00822 .00242 -.00084 -.00016 .00048 Fe4 .494370 .091271 .041046 .01080 .01047 .01141 .00978 -.00159 .00012 -.00172 Fe5 .770588 .409639 .326560 .00609 .00569 .00867 .00423 .00026 .00179 .00209 Fe6 .066056 1.102577 .020953 .00714 .00810 .00525 .00620 -.00027 -.00325 -.00107 Fe7 .270389 .103308 -.181010 .01067 .01118 .00626 .01427 -.00039 .00170 .00035 Fe8 .667519 -.101813 -.079244 .00492 .00483 .00498 .00521 .00122 .00162 .00600 FeX1 .171047 .585961 .423389 .70 .00874 .00863 .00789 .00931 -.00083 .00080 .00057 AlX1 .171047 .585961 .423389 .30 .00874 .00863 .00789 .00931 -.00083 .00080 .00057 FeX2 .093311 .085168 .445086 .62 .00632 .00695 .00657 .00507 -.00095 .00026 .00043 AlX2 .093311 .085168 .445086 .38 .00632 .00695 .00657 .00507 -.00095 .00026 .00043 MnM1 .398564 .393158 .145179 .50 .01428 .01842 .01422 .00902 .00064 -.00023 .00306 FeM1 .398564 .393158 .145179 .50 .01428 .01842 .01422 .00902 .00064 -.00023 .00306 FeM2 .866058 .107348 .221745 .50 .00586 .00604 .00601 .00559 .00094 .00132 -.00404 MnM2 .866058 .107348 .221745 .50 .00586 .00604 .00601 .00559 .00094 .00132 -.00404 CaY1 .62967 .25097 .177303 .66 .01998 .00856 .00898 .04212 -.00099 .00423 -.00124 MnY1 .62967 .25097 .177303 .34 .01998 .00856 .00898 .04212 -.00099 .00423 -.00124 CaZ1 .487283 .484311 .333293 .16 .00866 .00867 .00938 .00742 -.00409 .00033 .00348 MnZ1 .487283 .484311 .333293 .84 .00866 .00867 .00938 .00742 -.00409 .00033 .00348 CaZ2 .777816 .01746 .033332 .27 .01491 .01880 .01330 .01183 .00056 .00104 -.00055 MnZ2 .777816 .01746 .033332 .73 .01491 .01880 .01330 .01183 .00056 .00104 -.00055 Na1 .59115 .01595 .229211 .61 .00749 Ca1 .59115 .01595 .229211 .39 .00749 Na2 .67392 .48572 .137898 .64 .01596 Ca2 .67392 .48572 .137898 .36 .01596 Na3 .77758 .72828 .04320 .83 .02469 Na4 .27766 .23226 .03604 .02821 Na5 .17900 .26727 .13857 .64 .0327 Na6 .88371 .77215 -.06119 .02042 Na7 .32368 .25332 .47543 .01254 Na8 .53007 .24815 .27562 .90 .01437 Na9 .38295 -.27238 .43047 .91 .02453 Na10 .12781 .74978 .17951 .01491 Na11 .98501 .27302 .33573 .80 .02071 Na12 .48787 .22765 -.17178 .90 .02836 Na13 .08484 .22981 .23605 .66 .0242 Na14 .72461 .25403 .07985 .81 .01986 Na15 .93188 .24718 -.11657 .92 .01751 Na16A .59083 .25046 -.28804 .35 .0245 Na16B .67976 .24262 .64754 .53 .0495 Al1 .79342 .40049 -.250217 .75 .01107 Fe1 .79342 .40049 -.250217 .25 .01107 Al2 .69418 .08221 -.157387 .90 .01052 Fe2 .69418 .08221 -.157387 .10 .01052 Al3 .57235 .41914 .525267 .00351 Al4 .47268 -.09917 .117278 .80 .00208 Fe4 .47268 -.09917 .117278 .20 .00208 Al5 .37424 .59111 .221204 .85 .00431 Fe5 .37424 .59111 .221204 .15 .00431 Al6 .96999 .41537 .125472 .65 .00488 Fe6 .96999 .41537 .125472 .35 .00488 Al7 -.10993 -.09204 .146562 .60 .01560 Fe7 -.10993 -.09204 .146562 .40 .01560 Al8 .29549 .08434 .242488 .55 .01013 Fe8 .29549 .08434 .242488 .45 .01013 P1 .40451 .13325 .149780 .00270 P2 .70158 .34239 -.146100 .00683 P3 .30326 .34825 .254888 .01117 P4 .60296 .13651 -.053852 .00400 P5 .09267 .35153 .453335 .00817 P6 .38566 .46182 .438171 .00596 P7 .20642 .13427 .350232 .00983 P8 .05772 .36556 .019263 .00412 P9 .26631 .36545 -.183968 .00297 P10 .18281 .53312 .137842 .00137 P11 -.01870 .53721 .334166 .00215 P12 .49317 .35141 .051195 .00500 P13 .86100 .36353 .218308 .01234 P14 .78064 .46884 .039804 .00417 P15 .58530 .47681 .236910 .00742 P16 .56115 .15930 .512140 .00521 P17 .90598 .35024 -.338620 .00485 P18 .35949 .15185 .706162 .00834 P19 .17135 -.14968 .414128 .00700 P20 .45191 .35655 .611792 .00828 P21 .81359 .14265 -.244013 .00365 P22 .28070 .03746 .533001 .01142 P23 -.03808 .15713 .112944 .00717 P24 .99974 .86526 .052822 .01038 P25 .66273 .36195 .422512 .00906 P26 .07963 -.03521 .228426 .01205 P27 .48299 .03191 .328111 .00939 P28 .77105 .15108 .315770 .00953 P29 .87654 .03654 -.071562 .00686 P30 .67863 .02137 .129560 .00855 O1 .21674 -.03608 .55823 .00800 O2 .30747 .52669 .45980 .00884 O3 .55305 .24152 -.07716 .00662 O4 .13792 .42569 -.00332 .0156 O5 .26556 -.09814 .39878 .0161 O6 .02764 .43360 .06233 .01349 O7 .56643 .34517 .37922 .00524 O8 .30991 .26048 -.16335 .01285 O9 .10025 .25998 .03795 .01167 O10 .96005 .35101 -.02412 .00439 O11 .05505 .09923 .10029 .01215 O12 .10441 .46673 .15967 .00723 O13 .95140 .75988 .02974 .01015 O14 .65420 .10117 .50142 .01293 O15 .16566 .34821 -.22387 .00663 O16 .34273 .41832 -.21353 .0158 O17 .74498 .40956 -.18626 .00833 O18 .35094 .34781 .57111 .00242 O19 .52839 .41795 .58836 .00889 O20 .69992 .53628 .05839 .01143 O21 .24399 .43814 -.14169 .01137 O22 .47675 .16285 .46343 .01086 O23 .13444 .62318 .10132 .0145 O24 .78532 .33406 -.09730 .01150 O25 .74106 .42447 .40152 .0167 O26 .93476 .42518 -.38113 .00639 O27 .20255 -.25660 .43799 .01348 O28 .41603 -.03911 .35302 .00676 O29 .62840 .42879 .46387 .01291 O30 .83757 .40431 .08445 .0160 O31 .39359 .25942 .72939 .0148 O32 .59542 .26980 .53243 .00873 O33 .94045 .41976 .19318 .0153 O34 .17881 .33998 .50054 .01211 O35 .05775 .23797 .43070 .0172 O36 .83398 .07894 -.29107 .00786 O37 .35373 .23522 .12187 .00944 O38 .13296 -.08505 .45456 .01144 O39 .08643 -.15824 .36562 .00984 O40 .82687 .44146 .25733 .0181 O41 .38564 .33355 .30288 .0154 O42 .66691 .22807 -.16540 .01098 O43 .76580 .34054 .17681 .01007 O44 .81219 -.03374 -.04447 .01054 O45 .44443 .09943 .68411 .00792 O46 .50033 .54248 .25414 .01367 O47 .15971 .24161 .32926 .01223 O48 -.09081 .47377 .36042 .00991 O49 .86311 .09522 .30078 .0157 O50 .62893 .41009 .28331 .0185 O51 .33591 .37573 .40039 .01245 O52 .60487 -.05228 .14905 .01168 O53 .49222 .24690 .62693 .00701 O54 .44568 .39669 .48218 .01333 O55 .02075 -.09473 .18161 .0162 O56 .72680 .07864 .35170 .0183 O57 .99830 .33464 -.29590 .01162 O58 -.00538 .26714 .13345 .0171 O59 .24299 .59459 .18395 .00918 O60 .92641 .12551 -.03418 .00932 O61 .73557 .38117 .00046 .01432 O62 .33624 .11596 .57466 .01071 O63 .45508 .24769 .02116 .0178 O64 .81893 .10055 -.11790 .00770 O65 .84668 .54479 .01315 .01240 O66 .01658 .03671 .25543 .01057 O67 .80800 .25312 .34477 .01258 O68 .57329 .32516 .09826 .0152 O69 .24755 .45956 .11058 .00754 O70 .44955 .53859 .41109 .01040 O71 .65900 .55698 .21859 .00892 O72 -.07492 .61498 .29190 .0135 O73 .33097 .08621 .74854 .01115 O74 .34429 .42177 .21548 .0146 O75 .42731 .41867 .65698 .01288 O76 .71743 .10078 .17361 .00970 O77 .23472 .06822 .30574 .00835 O78 .04399 .61567 .37223 .01322 O79 .54787 .39828 .19414 .0222 O80 .90513 .26569 .24341 .0202 O81 .13094 .42505 .41315 .01287 O82 .22005 .11377 .49369 .0182 O83 .52108 .09972 .55400 .00873 O84 .26508 .16070 .66199 .00867 O85 -.08032 .09769 .15288 .0139 O86 .12953 -.12225 .26584 .00674 O87 .04835 .45882 .30885 .00978 O88 .43619 .05660 .10980 .00436 O89 .35092 -.02842 .50509 .00869 O90 .16076 .03474 .20832 .01193 O91 .70690 .25683 .44061 .0194 O92 -.12272 .16204 .06349 .01157 O93 .76983 .25342 -.26072 .0152 O94 .42531 .09673 .28182 .01164 O95 .53982 .42982 .01535 .00229 O96 .52061 .07131 -.03253 .00336 O97 .52904 .11732 .36690 .00860 O98 -.00115 .40579 .46737 .00596 O99 .39952 .40659 .06559 .00634 O100 .09993 .84941 .09008 .01351 O101 .69617 .15663 -.01354 .0191 O102 .73065 .07875 -.22295 .00779 O103 .95583 -.03388 -.09308 .01104 O104 .63384 .06660 -.09710 .00571 O105 .60822 .40277 -.13401 .01022 O106 .31936 .07558 .17254 .00563 O107 .12350 .07310 .37180 .00918 O108 .91868 .92445 .07651 .00671 O109 .68989 .17131 .26779 .0193 O110 .91405 .15518 -.20477 .0152 O111 .20808 .40305 .26748 .01288 O112 .49662 .16456 .18931 .0166 O113 .30233 .14815 .38997 .0151 O114 .81511 .40349 -.31995 .0142 O115 .02269 .93559 .00856 .01119 O116 .56112 -.03936 .30709 .00565 O117 .63717 .08731 .08159 .0147 O118 .86856 .24001 -.36275 .01258 O119 .76211 -.04835 .11325 .01068 O120 .26863 .23497 .23250 .0172