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Cafetite |
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Krivovichev S V, Yakovenchuk V N, Burns P C, Pakhomovsky Y A, Menshikov Y P |
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American Mineralogist 88 (2003) 424-429 |
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Cafetite, Ca[Ti2O5](H2O): Crystal structure and revision of chemical formula |
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Locality: alkaline rocks in the Afrikanda massif, Kola peninsula, Russia. |
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_database_code_amcsd 0002986 |
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4.9436 12.109 15.911 90 98.937 90 P2_1/n |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ti1 .8280 .69732 .45767 .0081 .0090 .0066 .0076 -.0003 -.0021 .0000 |
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Ti2 .2259 .51318 .43865 .0094 .0102 .0088 .0083 -.0001 -.0016 .0005 |
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Ti3 .9742 .91031 .57249 .0078 .0091 .0074 .0060 .0002 -.0018 .0007 |
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Ti4 .5820 .11252 .54933 .0077 .0091 .0069 .0060 .0001 -.0018 -.0004 |
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Ca1 .5198 .95070 .74009 .0149 .0171 .0154 .0107 -.0022 -.0026 -.0011 |
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Ca2 .5906 .30997 .37755 .0098 .0103 .0085 .0097 .0002 -.0016 -.0011 |
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O1 .9544 .4030 .4588 .0087 .0079 .0103 .0072 .0010 -.0011 -.0010 |
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O2 .6707 .8122 .5478 .0090 .0071 .0091 .0100 -.0013 -.0015 -.0019 |
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O3 .8802 .1926 .5150 .0117 .0139 .0092 .0126 -.0016 .0033 -.0013 |
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O4 .2691 .0043 .5342 .0087 .0107 .0088 .0063 .0001 .0006 .0010 |
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O5 .5430 .6009 .4870 .0107 .0102 .0117 .0089 -.0007 -.0025 -.0006 |
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O6 .4351 .2114 .6174 .0100 .0116 .0102 .0068 .0010 -.0034 -.0010 |
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O7 .7844 .0199 .6331 .0101 .0099 .0120 .0071 .0007 -.0033 -.0007 |
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O8 .1721 .8480 .6616 .0114 .0156 .0104 .0070 .0011 -.0018 -.0001 |
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O9W .2450 .2208 .2645 .0154 .0150 .0220 .0073 .0019 -.0029 .0014 |
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O10W .2148 .1098 .7410 .0153 .0160 .0179 .0112 -.0030 -.0014 -.0001 |
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O11 .3218 .4661 .3440 .0144 .0190 .0129 .0105 .0076 .0008 -.0004 |
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O12 .9673 .6219 .3763 .0126 .0140 .0139 .0096 .0048 -.0008 .0011 |
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H1 .069 .211 .282 .0430 |
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H2 .079 .083 .696 .0430 |
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H3 .167 .246 .209 .0430 |
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H4 .302 .162 .709 .0430 |
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| Download AMC data (View Text File)
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Armbrusterite |
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Yakovenchuk V N, Krivovichev S K, Pakhomovsky Y A, Ivanyuk G Y, Selivanova E A, |
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Menshikov Y P, Britvin S N |
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American Mineralogist 92 (2007) 416-423 |
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Armbrusterite, K5Na6Mn3+Mn2+14[Si9O22]4(OH)10*4H2O, a new Mn hydrous |
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heterophyllosilicate from the Khibiny alkaline massif, Kola Peninsula, Russia |
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Locality: Khibiny alkaline massif, Kola Peninsula, Russia |
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_database_code_amcsd 0004282 |
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17.333 23.539 13.4895 90 115.069 90 C2/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K1 .210 .9513 .4905 .30 .090 |
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K2 .505 0 .6035 .28 .072 |
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K3 0 0 .5 .16 .042 |
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K5 .9725 .6967 .495 .20 .1 |
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K6 .815 .6705 .490 .17 .1 |
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K7 .854 .7263 .479 .17 .1 |
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K10 .824 .560 .477 .11 .1 |
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K11 .398 .0665 .485 .12 .1 |
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Na1 .8465 .14408 .0470 .0294 .0225 .0192 .047 -.0010 .0151 .001 |
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Na2 .5 .8511 0 .031 .026 .026 .048 0 .024 0 |
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Mn2+1 0 .06931 0 .0223 .0162 .0150 .0381 0 .0139 0 |
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Mn2+2 0 .21062 0 .0219 .0153 .0170 .0355 0 .0127 0 |
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Mn2+3 .32397 .07102 .96233 .0223 .0168 .0157 .0388 -.0003 .0160 -.0005 |
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Mn2+4 .84790 0 .04652 .0229 .0155 .0178 .0380 0 .0141 0 |
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Mn3+5 .5 0 0 .0214 .0137 .0181 .0351 0 .0129 0 |
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Mn2+6 .67138 .78453 .01290 .0230 .0174 .0173 .0395 .0008 .0170 .0011 |
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Si1 .28669 .06392 .1804 .0203 .0150 .0156 .0345 -.0001 .0144 .0009 |
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Si2 .85334 .86802 .7929 .0205 .0135 .0166 .0342 .0018 .0128 -.0003 |
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Si3 .39902 .06387 .7713 .0213 .0138 .0181 .0354 -.0004 .0139 .0000 |
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Si4 .85790 .74466 .7667 .0222 .0148 .0186 .0346 -.0014 .0117 -.0010 |
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Si5 .01462 .06473 .2525 .0206 .0167 .0133 .0363 .0009 .0156 .0000 |
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Si6 .02831 .75457 .7661 .0221 .0165 .0180 .0359 -.0014 .0151 .0008 |
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Si7 .25042 .85840 .7343 .0209 .0130 .0170 .0340 .0005 .0113 .0006 |
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Si8 .05700 .14539 .6269 .0206 .0125 .0198 .0319 -.0001 .0117 -.0015 |
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Si9 .43999 .13157 .2007 .0201 .0124 .0150 .0354 -.0013 .0124 -.0004 |
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O3 .2454 .0672 .0507 .0234 .018 .016 .041 -.001 .016 -.001 |
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O5 .4031 .1383 .0717 .0243 .016 .018 .038 .002 .011 -.003 |
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O6 .2603 .8580 .8579 .0269 .022 .028 .032 -.003 .012 -.002 |
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O7 .9042 .7291 .8946 .0250 .018 .027 .033 -.004 .014 -.003 |
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O8 .9465 .0659 .1274 .0238 .022 .016 .037 -.006 .016 -.004 |
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O9 .9156 .8623 .9180 .0231 .016 .018 .037 -.001 .014 .001 |
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O10 .4251 .0613 .8999 .0242 .016 .022 .039 .002 .017 -.001 |
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O11 .0479 0 .2970 .0255 .025 .014 .044 0 .021 0 |
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O12 .9007 .8973 .7236 .0271 .026 .020 .040 -.004 .019 -.003 |
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O13 .8129 .8070 .7384 .0237 .019 .012 .038 -.004 .009 .000 |
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O14 .4644 .1037 .7424 .0244 .023 .017 .035 -.003 .014 .001 |
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O15 .0671 .7719 .8922 .0259 .019 .028 .032 .002 .012 -.002 |
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O16 .0597 .6928 .7419 .0236 .022 .021 .033 .002 .017 .003 |
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O17 .3033 .9103 .7082 .0245 .015 .021 .041 -.002 .015 -.001 |
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O18 0 .1576 .5 .032 .022 .040 .035 0 .013 0 |
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O19 .7830 .7004 .6985 .0252 .018 .017 .039 -.004 .011 .002 |
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O20 .2999 0 .2285 .027 .031 .013 .039 0 .017 0 |
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O21 .1529 .1329 .6433 .0274 .016 .030 .042 -.001 .017 -.005 |
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O22 .0547 .1999 .6958 .0315 .030 .025 .044 .002 .021 -.005 |
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O23 .3814 .0906 .2391 .0290 .018 .033 .035 -.010 .010 .000 |
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O24 .3989 0 .7223 .0238 .023 .019 .037 0 .020 0 |
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O26 .9254 .7478 .7106 .0284 .014 .038 .033 -.004 .010 -.002 |
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O27 .7697 .9067 .7654 .0293 .022 .030 .035 .012 .012 .001 |
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O28 .9767 .0893 .3356 .0284 .023 .022 .051 -.004 .027 -.001 |
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OH1 .2409 0 .8736 .0265 .023 .022 .040 0 .018 0 |
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OH2 .4119 0 .0649 .029 .021 .023 .049 0 .019 0 |
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OH4 .0899 0 .0692 .027 .024 .022 .038 0 .016 0 |
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OH25 .7508 .7120 .0734 .0270 .018 .024 .042 .002 .016 .003 |
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Wat1 0 .652 .5 .35 .1 |
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Wat2 0 .586 .5 .34 .1 |
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Wat3 .878 .683 .434 .26 .1 |
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Wat4 .824 .613 .478 .29 .1 |
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Wat5 .243 0 .413 .26 .1 |
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Wat6 .218 0 .509 .26 .1 |
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Wat7 .8609 0 .3821 .70 .1 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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