Charoite Rozhdestvenskaya I, Mugnaioli E, Czank M, Depmeier W, Kolb U, Reinholdt A, Weirich T Mineralogical Magazine 74 (2010) 159-177 The structure of charoite, (K,Sr,Ba,Mn)15-16(Ca,Na)32[(Si70(O,OH)180)](OH,F)4.0*nH2O, solved by conventional and automated electron diffraction Note: this is polytype charoite-90 Locality: Murun massif, Yakutiya, Russia _database_code_amcsd 0017698 31.96 19.64 7.09 90 90.0 90 P2_1/m atom x y z occ Uiso K1 .4857 .25 .1277 .051 K2 .5984 .25 .6310 .051 K3 .7397 .1140 .6273 .074 K4 .3562 .25 .8515 .57 .088 BaK4 .3562 .25 .8515 .16 .088 MnK4 .3562 .25 .8515 .18 .088 K5 .6903 .25 .135 .55 .096 K6 .2060 .0453 .8787 .79 .054 K7 .0495 .196 .870 .12 .016 Sr .3419 .25 .380 .50 .078 CaNa1 .9654 .0640 .6206 .36 .058 Na1 .9654 .0640 .6206 .64 .058 CaNa2 .9668 .0759 .1341 .05 .060 Na2 .9668 .0759 .1341 .95 .060 Ca1 .8769 .1474 .3786 .058 Ca2 .8780 .1446 .8814 .057 Ca3 .5412 .0429 .8787 .052 Ca4 .5415 .0397 .3768 .045 Ca5 .3478 .0715 .1215 .053 Ca6 .3484 .0706 .6257 .057 Si1 .4975 .1754 .6261 .068 Si2 .4425 .1033 .3372 .048 Si3 .4418 .1051 .9050 .057 Si4 .5881 .1723 .1272 .055 Si5 .6399 .1039 .4197 .044 Si6 .6381 .1014 .8464 .069 Si7 .7036 .0558 .1332 .051 Si8 .7858 .1385 .1249 .044 Si9 .7921 .25 .838 .083 Si10 .7918 .25 .416 .053 Si11 .2660 .1753 .6606 .068 Si12 .2662 .1792 .0792 .056 Si13 .2518 .0672 .3719 .063 Si14 .8288 .0161 .6262 .052 Si15 .1059 .0259 .0964 .040 Si16 .1072 .0236 .6504 .062 Si17 .0573 .1071 .3699 .063 Si18 .0202 .25 .3784 .021 Si19 .9469 .25 .0906 .105 Si20 .9479 .25 .6600 .080 O1 .5136 .25 .632 .065 O2 .4665 .1712 .800 .071 O3 .4642 .1637 .452 .074 O4 .5340 .1251 .620 .072 O5 .4467 .1271 .114 .116 O6 .3943 .1112 .392 .073 O7 .4672 .0316 .386 .076 O8 .3915 .1087 .866 .062 O9 .4664 .0352 .869 .060 O10 .5717 .25 .112 .075 O11 .6170 .1664 .311 .045 O12 .6164 .1687 .956 .072 O13 .5504 .1215 .138 .072 O14 .6871 .1021 .310 .052 O15 .6516 .1308 .633 .099 O16 .6146 .0357 .417 .079 O17 .6839 .0952 .955 .081 O18 .6132 .0321 .862 .072 O19 .7539 .0732 .129 .057 O20 .3087 .0188 .872 .086 O21 .7683 .1888 .317 .062 O22 .7725 .1845 .949 .081 O23 .8326 .1144 .132 .077 O24 .7794 .25 .629 .044 O25 .8433 .25 .866 .056 O26 .8407 .25 .390 .047 O27 .2489 .25 .590 .089 O28 .2418 .1164 .549 .054 O29 .2493 .1674 .869 .075 O30 .3163 .1777 .627 .074 O31 .2452 .25 .167 .054 O32 .2409 .1193 .183 .080 O33 .3180 .1759 .101 .076 O34 .2218 .0062 .360 .037 O35 .2977 .0451 .388 .102 O36 .1529 .0162 .186 .083 O37 .1517 .0180 .548 .075 O38 .8352 .0925 .638 .084 O39 .0835 .0881 .193 .077 O40 .1135 .0468 .8681 .049 O41 .9212 .0443 .890 .062 O42 .9191 .0434 .365 .069 O43 .0853 .0872 .556 .084 O44 .0510 .1842 .366 .086 O45 .0157 .0603 .371 .066 O46 .9919 .25 .185 .106 O47 .9941 .25 .567 .135 O48 .9655 .25 .879 .048 O49 .9256 .1811 .131 .070 O50 .9249 .1809 .620 .058 OH .0200 .054 .901 .5 .154 FOH .0200 .054 .901 .5 .154 Wat1 .7140 .25 .602 .31 .013 Wat2 .1754 .2115 .339 .46 .043 Wat3 .400 .25 .547 .36 .060