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: green sample Locality: Cross Lake, Manitoba, Canada _database_code_amcsd 0018618 13.4517 12.5266 26.6765 90 101.582 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 .27507 .48754 .53463 .0110 .0090 .0096 .0142 -.0008 .0014 .0008 Mn2 .08521 .51473 .23568 .0098 .0144 .0092 .0056 -.0009 .0018 .0009 Mn3 .38701 .01272 .43005 .0086 .0101 .0059 .0095 .0014 .0008 .0007 Mn4 .04125 .25301 -.20979 .0203 .0186 .0128 .0319 -.0008 .0111 -.0010 Mn5 .22275 .24635 .57565 .0093 .0030 .0043 .0222 -.0008 .0064 .0007 Mn6 .87662 .48637 -.06323 .0097 .0084 .0115 .0091 .0000 .0014 .0005 Mn7 .43438 .24765 .38375 .0105 .0102 .0051 .0182 -.0017 .0078 -.0027 Mn8 .82869 .25261 -.01776 .0144 .0100 .0104 .0236 .0000 .0059 -.0005 Mn9 .17913 -.01368 .13076 .0104 .0115 .0097 .0095 .0013 .0012 -.0017 Mn10 -.01129 -.01214 .33218 .0077 .0101 .0094 .0040 -.0017 .0020 -.0009 Fe1 .19871 .39896 .34672 .0059 .0072 .0054 .0053 .0012 .0019 .0013 Fe2 .59775 .39878 -.05414 .0081 .0086 .0056 .0096 -.0003 .0010 .0001 Fe3 .99429 .60248 .04841 .0085 .0082 .0080 .0085 .0032 .0001 -.0017 Fe4 .49414 .09107 .04032 .0111 .0095 .0158 .0070 -.0009 -.0007 -.0001 Fe5 .77060 .40985 .32664 .0077 .0085 .0060 .0094 -.0001 .0038 .0010 Fe6 .06581 .10090 .02103 .0111 .0116 .0098 .0113 -.0018 .0010 -.0018 Fe7 .26967 .10208 -.18088 .0095 .0096 .0086 .0102 .0027 .0020 -.0012 Fe8 .66696 -.10120 -.07847 .0091 .0098 .0095 .0083 -.0002 .0026 .0025 FeX1 .17085 .58558 .42249 .67 .0086 .0098 .0069 .0095 -.0009 .0029 -.0015 AlX1 .17085 .58558 .42249 .21 .0086 .0098 .0069 .0095 -.0009 .0029 -.0015 MgX1 .17085 .58558 .42249 .12 .0086 .0098 .0069 .0095 -.0009 .0029 -.0015 FeX2 .09331 .08534 .44465 .68 .0081 .0073 .0087 .0071 -.0014 -.0011 -.0016 MgX2 .09331 .08534 .44465 .32 .0081 .0073 .0087 .0071 -.0014 -.0011 -.0016 MnM1 .40036 .39500 .14503 .5 .0139 .0156 .0122 .0133 -.0020 .0015 .0010 FeM1 .40036 .39500 .14503 .5 .0139 .0156 .0122 .0133 -.0020 .0015 .0010 FeM2 .86433 .10538 .22203 .5 .0055 .0043 .0095 .0031 .0011 .0015 -.0020 MnM2 .86433 .10538 .22203 .5 .0055 .0043 .0095 .0031 .0011 .0015 -.0020 MnY1 .63196 .25018 .18278 .36 .0211 .0128 .0110 .0431 -.0037 .0142 -.0070 CaY1 .63196 .25018 .18278 .64 .0211 .0128 .0110 .0431 -.0037 .0142 -.0070 CaZ1 .48574 .48313 .33333 .28 .0097 .0088 .0071 .0125 -.0004 .0007 .0030 CaZ1 .48574 .48313 .33333 .72 .0097 .0088 .0071 .0125 -.0004 .0007 .0030 CaZ2 .77802 .01716 .03361 .16 .0130 .0169 .0135 .0085 -.0006 .0026 -.0009 MnZ2 .77802 .01716 .03361 .84 .0130 .0169 .0135 .0085 -.0006 .0026 -.0009 Al1 .79378 .40085 -.24963 .79 .0091 Fe1 .79378 .40085 -.24963 .21 .0091 Al2 .69337 .08254 -.15735 .93 .0111 Fe2 .69337 .08254 -.15735 .07 .0111 Al3 .57167 .41841 .52499 .99 .0033 Fe3 .57167 .41841 .52499 .01 .0033 Al4 .47177 -.09752 .11731 .84 .0038 Fe4 .47177 -.09752 .11731 .16 .0038 Al5 .37517 .59176 .22079 .89 .0053 Fe5 .37517 .59176 .22079 .11 .0053 Al6 .96963 .41774 .12540 .68 .0028 Fe6 .96963 .41774 .12540 .32 .0028 Al7 -.11089 -.09417 .14659 .71 .0158 Fe7 -.11089 -.09417 .14659 .29 .0158 Al8 .29588 .08395 .24195 .52 .0127 Fe8 .29588 .08395 .24195 .48 .0127 P1 .40209 .13488 .14892 .0030 P2 .70153 .34258 -.14612 .0066 P3 .30164 .34793 .25316 .0091 P4 .60162 .13727 -.05494 .0063 P5 .09175 .35266 .45270 .0063 P6 .38732 .46137 .43812 .0062 P7 .20519 .13444 .34885 .0062 P8 .05946 .36547 .01903 .0082 P9 .26781 .36553 -.18399 .0070 P10 .18424 .53436 .13790 .0073 P11 -.01674 .53784 .33383 .0071 P12 .49305 .35253 .05063 .0075 P13 .86212 .36354 .21862 .0127 P14 .78071 .46791 .03942 .0081 P15 .58616 .47773 .23731 .0112 P16 .56239 .15909 .51283 .0065 P17 .90474 .35027 -.33908 .0066 P18 .36003 .15004 .70594 .0094 P19 .17276 -.14959 .41438 .0099 P20 .45212 .35515 .61159 .0100 P21 .81270 .14356 -.24362 .0040 P22 .28217 .03770 .53366 .0079 P23 -.03645 .15884 .11323 .0108 P24 .99742 .86386 .05301 .0087 P25 .66298 .36209 .42220 .0078 P26 .07951 -.03460 .22874 .0066 P27 .48318 .03183 .32755 .0059 P28 .77030 .14964 .31600 .0069 P29 .87667 .03750 -.07163 .0080 P30 .67915 .02383 .12999 .0048 Na1 .58711 .01517 .22905 .72 .0053 Ca1 .58711 .01517 .22905 .28 .0053 Na2 .67265 .48283 .13788 .64 .0104 Ca2 .67265 .48283 .13788 .36 .0104 Na3 .7783 .7265 .04229 .0243 Na4 .2800 .2288 .03146 .0289 Na5 .1823 .2689 .13214 .0279 Na6 .8829 .7743 -.06103 .0238 Na7 .32117 .2532 .47428 .0123 Na8 .52955 .2480 .27670 .93 .0125 Na9 .3820 -.2751 .42969 .99 .0183 Na10 .1266 .7510 .17767 .0123 Na11 .9843 .2745 .33739 .93 .0163 Na12 .4874 .2275 -.17186 .0256 Na13 .0844 .2286 .23757 .99 .0212 Na14 .72405 .2534 .07897 .0170 Na15 .9333 .2464 -.11579 .93 .0156 Na16A .5869 .2584 -.2831 .45 .027 Na16B .6768 .2455 .6541 .55 .037 O1 .2157 -.0369 .55875 .0091 O2 .3082 .5281 .45960 .0046 O3 .5526 .2423 -.07616 .0081 O4 .1419 .4256 -.00312 .0156 O5 .2672 -.0947 .39937 .0142 O6 .0307 .4315 .06254 .0170 O7 .5675 .3456 .37889 .0092 O8 .3126 .2592 -.16320 .0112 O9 .1037 .2592 .03920 .0100 O10 .9626 .3513 -.02450 .0065 O11 .0575 .0976 .10099 .0156 O12 .1041 .4660 .15834 .0120 O13 .9486 .7598 .03040 .0106 O14 .6578 .0992 .50275 .0105 O15 .1671 .3473 -.22442 .0032 O16 .3448 .4172 -.21388 .0129 O17 .7442 .4056 -.18626 .0121 O18 .3527 .3466 .57063 .0050 O19 .5321 .4158 .58863 .0068 O20 .7002 .5388 .05777 .0117 O21 .2443 .4358 -.14177 .0139 O22 .4782 .1618 .46357 .0085 O23 .1347 .6220 .10101 .0160 O24 .7861 .3333 -.09712 .0133 O25 .7441 .4243 .40206 .0135 O26 .9338 .4226 -.38092 .0107 O27 .2078 -.2567 .43725 .0128 O28 .4160 -.0399 .35359 .0057 O29 .6307 .4298 .46454 .0109 O30 .8377 .4021 .08442 .0148 O31 .3977 .2575 .72980 .0137 O32 .5981 .2696 .53140 .0069 O33 .9434 .4199 .19349 .0152 O34 .1758 .3383 .50052 .0132 O35 .0574 .2412 .4292 .0179 O36 .8353 .0808 -.28988 .0135 O37 .3520 .2357 .12195 .0090 O38 .1340 -.0858 .45503 .0131 O39 .0851 -.1569 .36618 .0097 O40 .8293 .4406 .25769 .0185 O41 .3866 .3306 .30186 .0152 O42 .6666 .2286 -.16624 .0130 O43 .7689 .3374 .17650 .0107 O44 .8135 -.0357 -.04471 .0092 O45 .4444 .0971 .68327 .0084 O46 .5009 .5439 .25249 .0112 O47 .1578 .2407 .32789 .0115 O48 -.0884 .4744 .36085 .0075 O49 .8645 .0941 .30139 .0110 O50 .6288 .4081 .28293 .0189 O51 .3378 .3751 .39965 .0132 O52 .6046 -.0526 .14860 .0077 O53 .4929 .2449 .62732 .0091 O54 .4478 .3950 .48267 .0113 O55 .0191 -.0951 .18236 .0109 O56 .7273 .0740 .35189 .0165 O57 .9993 .3346 -.29549 .0156 O58 .0016 .2712 .13359 .0173 O59 .2438 .5963 .1838 .0180 O60 .9263 .1256 -.03436 .0101 O61 .7335 .3806 .00169 .0145 O62 .3376 .1147 .57543 .0102 O63 .4549 .2504 .02053 .0125 O64 .8187 .1026 -.11683 .0109 O65 .8467 .5405 .01414 .0141 O66 .0164 .0390 .25565 .0072 O67 .8090 .2509 .34555 .0133 O68 .5727 .3234 .09851 .0163 O69 .2475 .4604 .11107 .0136 O70 .4522 .5346 .41105 .0148 O71 .6598 .5557 .21891 .0131 O72 -.0751 .6144 .29081 .0157 O73 .3314 .0832 .74857 .0130 O74 .3450 .4189 .21420 .0134 O75 .4315 .4180 .65766 .0096 O76 .7170 .1038 .17244 .0090 O77 .2364 .0675 .30558 .0068 O78 .0455 .6191 .36917 .0141 O79 .5492 .4019 .19203 .0189 O80 .9105 .2658 .24579 .0170 O81 .1299 .4240 .41313 .0127 O82 .2208 .1147 .49404 .0180 O83 .5201 .0974 .55388 .0071 O84 .2665 .1623 .66292 .0071 O85 -.0765 .1028 .15428 .0186 O86 .1288 -.1220 .26605 .0077 O87 .0468 .4610 .30830 .0112 O88 .4382 .0581 .11045 .0037 O89 .3506 -.0275 .50570 .0124 O90 .1575 .0324 .20642 .0097 O91 .7082 .2569 .44322 .0159 O92 -.1212 .1644 .06483 .0113 O93 .7692 .2541 -.26036 .0133 O94 .4276 .0946 .28069 .0133 O95 .5406 .4294 .01605 .0055 O96 .5218 .0714 -.03358 .0055 O97 .5284 .1185 .36695 .0096 O98 -.0001 .4053 .46792 .0081 O99 .4027 .4079 .06671 .0096 O100 .0979 .8463 .09005 .0180 O101 .6967 .1581 -.01362 .0129 O102 .7318 .0802 -.22270 .0116 O103 .9531 -.0296 -.0935 .0181 O104 .6349 .0694 -.09713 .0077 O105 .6104 .4017 -.13406 .0114 O106 .3183 .0772 .17134 .0112 O107 .1241 .0736 .36999 .0117 O108 .9177 .9237 .07648 .0139 O109 .6867 .1697 .26900 .0122 O110 .9147 .1551 -.20436 .0138 O111 .2092 .4018 .26655 .0084 O112 .4951 .1667 .18886 .0138 O113 .3019 .1508 .38952 .0116 O114 .8158 .4044 -.32021 .0129 O115 .0183 .9365 .00970 .0117 O116 .5602 -.0384 .30651 .0065 O117 .6384 .0874 .08163 .0131 O118 .8662 .2417 -.3630 .0181 O119 .7632 -.0443 .11237 .0169 O120 .2656 .2389 .23025 .0213