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Chivruaiite |
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Men'shikov Y P, Krivovichev S V, Pakhomovsky Y A, Yakovenchuk V N, |
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Ivanyuk G Yu, Mikhailova J A, Armbruster T, Selivanova E A |
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American Mineralogist 91 (2006) 922-928 |
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Chivruaiite, Ca4(Ti,Nb)5[(Si6O17)2|(OH,O)5]·13-14H2O, a new mineral |
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from hydrothermal veins of Khibiny and Lovozero alkaline massifs |
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Locality: Chivruai River valley, Kola peninsula, Russia |
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_database_code_amcsd 0004161 |
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7.1918 23.166 6.9472 90 90 90 Cmmm |
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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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Ca1 0 .13883 .2145 .35 .0320 .0165 .0247 .055 0 0 .014 |
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Sr1 0 .13883 .2145 .025 .0320 .0165 .0247 .055 0 0 .014 |
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Mn2 .25 .25 .5 .10 .024 .023 .037 .012 .008 0 0 |
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Ca2 .25 .25 .5 .075 .024 .023 .037 .012 .008 0 0 |
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K -.856 .5 .5 .05 .120 |
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Ba -.856 .5 .5 .025 .120 |
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Ti1 .25 .25 0 .78 .0172 .0224 .0156 .0137 .0067 0 0 |
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Nb1 .25 .25 0 .22 .0172 .0224 .0156 .0137 .0067 0 0 |
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Ti2 -.5 .5 .0319 .25 .020 .0171 .0106 .033 0 0 0 |
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Si1 0 .33852 .27054 .0143 .0173 .0161 .0096 0 0 -.0002 |
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Si2 .0962 .43567 0 .50 .0155 .0152 .0101 .0211 -.0007 0 0 |
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O1 0 .5 0 .0235 .024 .011 .035 0 0 0 |
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O2 0 .3454 .5 .0351 .068 .028 .010 0 0 0 |
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O3 0 .21976 0 .696 .0192 .014 .016 .028 0 0 0 |
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OH3 0 .21976 0 .304 .0192 .014 .016 .028 0 0 0 |
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O4 .1851 .30653 .2009 .0341 .0191 .0407 .043 .0071 -.004 -.027 |
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O5 0 .40438 .1893 .0350 .067 .0182 .020 0 0 .003 |
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Wat6 0 .1986 .5 .072 .090 .071 .056 0 0 0 |
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O7 .3179 .4387 .0420 .25 .024 .013 .020 .040 -.001 .000 .000 |
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Wat8 -.5 .5 .414 .30 .064 |
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O9 -.5 .5 .267 .174 .042 |
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OH9 -.5 .5 .267 .076 .042 |
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Wat10 0 .5 .5 .34 .13 |
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Wat11 -.5 .5783 .5 .29 .080 |
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Wat12 .413 .411 0 .12 .080 |
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Wat13 -.340 .5686 .425 .19 .080 |
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Wat14 0 .099 .166 .11 .080 |
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Yakovenchukite-(Y) |
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Krivovichev S V, Pakhomovsky Y A, Ivanyuk G Y, Mikhailova J A, Men'shikov Y P, |
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Armbruster T, Selivanova E A, Meisser N |
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American Mineralogist 92 (2007) 1525-1530 |
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Yakovenchukite-(Y), K3NaCaY2(Si12O30)(H2O)4, a new mineral from the Khibiny |
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massif, Kola Peninsula, Russia: a novel type of octahedral-tetrahedral |
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open-framework structure |
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Locality: Khibiny massif, Kola Peninsula, Russia |
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_database_code_amcsd 0004453 |
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14.972 14.137 14.594 90 90 90 Pcca |
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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 .5 .2677 .25 .88 .041 .0308 .026 .065 .000 .026 0 |
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K2 .0896 .2619 .1022 .94 .0384 .0180 .037 .061 .0046 .0013 .0041 |
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Na .25 .5 .0128 .042 .047 .053 .027 -.014 0 0 |
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Ca1 .25 0 .0300 .0157 .0096 .020 .017 .0040 0 0 |
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Ca2 .0392 .244 .006 .06 .013 |
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Y1 0 .5 .5 .84 .0137 .0103 .0159 .0151 -.0002 .0008 .0006 |
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Yb1 0 .5 .5 .16 .0137 .0103 .0159 .0151 -.0002 .0008 .0006 |
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Y2 0 0 .5 .82 .0143 .0099 .0176 .0154 .0008 .0014 .0013 |
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Yb2 0 0 .5 .18 .0143 .0099 .0176 .0154 .0008 .0014 .0013 |
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Si1 .1252 .3588 .3440 .0149 .010 .011 .024 -.0004 -.0027 -.0027 |
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Si2 .1215 .1434 .3510 .0161 .014 .019 .015 -.0007 .0012 -.0013 |
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Si3 .1699 .6402 .3768 .0169 .0121 .019 .020 -.0023 .0013 -.0023 |
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Si4 .1759 -.1359 .3717 .0141 .0120 .011 .020 .0003 -.0002 -.0021 |
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Si5 .0972 -.0264 .2175 .0158 .0144 .017 .016 -.0007 .0003 .0015 |
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Si6 .1452 .5182 .2019 .0207 .0159 .026 .020 .0008 .0001 -.0009 |
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O1 0 -.0642 .25 .022 .013 .022 .030 0 -.005 0 |
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O2 .1407 .6031 .2768 .025 .027 .025 .024 .000 -.004 -.007 |
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O3 .1150 .0775 .2608 .019 .029 .015 .013 .005 -.005 .007 |
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O4 .1142 .4183 .2503 .025 .019 .024 .031 -.003 -.008 .006 |
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O5 .1667 -.1019 .2656 .017 .015 .026 .009 .003 .000 -.006 |
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O6 .2233 .3810 .3887 .020 .016 .023 .020 -.004 .004 -.009 |
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O7 .1234 .2500 .3074 .020 .019 .015 .025 -.005 .006 -.004 |
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O8 .2185 .1219 .4007 .019 .005 .023 .030 -.003 -.003 .000 |
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O9 .0445 .1289 .4250 .021 .016 .020 .027 -.005 .006 .004 |
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O10 .0499 .3799 .4176 .020 .015 .030 .016 -.007 .002 -.003 |
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O11 .1508 .7520 .3767 .022 .013 .019 .035 .003 .003 .004 |
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O12 .0906 .5452 .1147 .028 .025 .039 .020 -.007 -.007 .002 |
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O13 .1075 -.0264 .1103 .024 .031 .032 .010 .005 -.004 .005 |
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O14 .1188 .5910 .4586 .023 .022 .022 .024 -.002 .003 .007 |
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O15 .25 .5 .1732 .028 .021 .048 .017 -.002 0 0 |
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O16 .1198 -.0744 .4401 .020 .015 .025 .018 .007 .002 -.005 |
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Wat17 .4059 .2524 .0825 .057 .069 .038 .064 .008 .002 .009 |
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Wat18 .2429 .1640 .1046 .041 .035 .059 .030 .020 -.006 .003 |
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Eliseevite |
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Yakovenchuk V N, Ivanyuk G Y, Krivovichev S V, Pakhomovsky Y A, Selivanova E A, |
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Korchak J A, Men'shikov Y P, Drogobuzhskaya S V, Zalkind O A |
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American Mineralogist 96 (2011) 1624-1629 |
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Eliseevite, Na1.5Li[Ti2Si4O12.5(OH)1.5]*2H2O, a new microporous titanosilicate |
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from the Lovozero alkaline massif (Kola Peninsula, Russia) |
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Locality: the Lovozero alkaline massif, Kola Peninsula, Russia |
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Note y-coordinate for O3 changed from .218 to reproduce reported bond lengths |
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_database_code_amcsd 0018483 |
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27.483 8.669 5.246 90 90.782 90 C2/c |
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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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Na .1655 .1972 -.3797 .75 .0252 .034 .0204 .0211 .0038 .0062 -.0032 |
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Li 0 .3675 .25 .009 .002 .007 .019 0 .005 0 |
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Ti .1641 .4057 .1256 .0140 .0177 .0129 .0113 .0002 -.0001 .0007 |
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Si1 .2659 .5897 .2901 .0124 .0172 .0114 .0087 .0001 -.0003 -.0001 |
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Si2 .0910 .0990 .0307 .0259 .0234 .0197 .0347 -.0012 -.0006 .0006 |
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O1 .2070 .5773 .2890 .0148 .020 .015 .0096 -.0013 -.0004 .0002 |
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O2 .2873 .7602 .2663 .0170 .024 .014 .013 -.0029 -.0039 -.0011 |
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O3 .1049 .0218 .3022 .048 .036 .044 .065 .001 -.007 .034 |
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O4 .1331 .4340 .4235 .0165 .019 .020 .010 -.0022 .0024 -.0019 |
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O5 .2873 .4920 .0490 .0148 .016 .019 .0096 -.0012 .0005 -.0035 |
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O6 .1219 .2514 -.0083 .021 .030 .019 .015 -.0055 .0008 -.0012 |
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OH7 .0329 .1310 .0142 .75 .041 .028 .055 .041 .013 .000 .010 |
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O7 .0329 .1310 .0142 .25 .041 .028 .055 .041 .013 .000 .010 |
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Wat8 -.0376 .3854 -.049 .144 .106 .105 .222 -.027 .105 -.045 |
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Cerite-(La) |
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Pakhomovsky Y A, Men'shikov Y P, Yakovenchuk V N, Ivanyuk G Y, |
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Krivovichev S V, Burns P C |
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The Canadian Mineralogist 40 (2002) 1177-1184 |
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Cerite-(La), (La,Ce,Ca)9(Fe,Ca,Mg)(SiO4)3[SiO3(OH)]4(OH)3, a new mineral |
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from the Khibiny Alkaline Massif: Occurrence and crystal structure |
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Locality: Khibina alkaline massif, Kola Peninsula, Russia |
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_database_code_amcsd 0005786 |
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10.7493 10.7493 38.318 90 90 120 R3c |
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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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La(1) .25867 .13428 .068094 .47 .0139 .0160 .0150 .0120 .0086 .0000 -.0009 |
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Ce(1) .25867 .13428 .068094 .29 .0139 .0160 .0150 .0120 .0086 .0000 -.0009 |
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Ca(1) .25867 .13428 .068094 .15 .0139 .0160 .0150 .0120 .0086 .0000 -.0009 |
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Sr(1) .25867 .13428 .068094 .04 .0139 .0160 .0150 .0120 .0086 .0000 -.0009 |
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Nd(1) .25867 .13428 .068094 .02 .0139 .0160 .0150 .0120 .0086 .0000 -.0009 |
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Pr(1) .25867 .13428 .068094 .01 .0139 .0160 .0150 .0120 .0086 .0000 -.0009 |
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La(2) .14209 .26126 .43210 .47 .0195 .0164 .0269 .0183 .0131 .0036 .0087 |
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Ce(2) .14209 .26126 .43210 .29 .0195 .0164 .0269 .0183 .0131 .0036 .0087 |
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Ca(2) .14209 .26126 .43210 .15 .0195 .0164 .0269 .0183 .0131 .0036 .0087 |
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Sr(2) .14209 .26126 .43210 .04 .0195 .0164 .0269 .0183 .0131 .0036 .0087 |
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Nd(2) .14209 .26126 .43210 .02 .0195 .0164 .0269 .0183 .0131 .0036 .0087 |
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Pr(2) .14209 .26126 .43210 .01 .0195 .0164 .0269 .0183 .0131 .0036 .0087 |
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La(3) .25878 .13436 .17585 .47 .0187 .0229 .0184 .0184 .0130 -.0045 -.0048 |
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Ce(3) .25878 .13436 .17585 .29 .0187 .0229 .0184 .0184 .0130 -.0045 -.0048 |
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Ca(3) .25878 .13436 .17585 .15 .0187 .0229 .0184 .0184 .0130 -.0045 -.0048 |
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Sr(3) .25878 .13436 .17585 .04 .0187 .0229 .0184 .0184 .0130 -.0045 -.0048 |
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Nd(3) .25878 .13436 .17585 .02 .0187 .0229 .0184 .0184 .0130 -.0045 -.0048 |
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Pr(3) .25878 .13436 .17585 .01 .0187 .0229 .0184 .0184 .0130 -.0045 -.0048 |
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Si(1) .3184 .1485 .36239 .0129 .0073 .0160 .0140 .0051 -.0002 .0001 |
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O(1) .2562 .0915 .3228 .0330 .0280 .0560 .0110 .0180 -.0040 -.0120 |
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O(2) .2781 .0026 .3850 .0160 .0120 .0160 .0190 .0060 .0040 .0020 |
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O(3) .2625 .2513 .3784 .0200 .0150 .0200 .0220 .0060 .0070 .0050 |
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O(4) .0817 .1730 .0295 .0167 .0160 .0160 .0230 .0110 .0000 -.0030 |
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Si(2) .1504 .3257 .13689 .0173 .0150 .0234 .0126 .0089 -.0003 .0005 |
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O(5) .2448 .2711 .1162 .0240 .0220 .0310 .0220 .0150 .0010 -.0100 |
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O(6) -.0105 .2701 .1224 .0210 .0240 .0250 .0130 .0110 -.0030 .0000 |
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O(7) .1668 .0742 .4664 .0168 .0140 .0160 .0200 .0080 .0010 .0010 |
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O(8) .1375 .2815 .1782 .0212 .0240 .0230 .0120 .0080 -.0030 .0000 |
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FeM 0 0 -.00168 .32 .0137 .0135 .0135 .0140 .0068 0 0 |
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CaM 0 0 -.00168 .30 .0137 .0135 .0135 .0140 .0068 0 0 |
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MgM 0 0 -.00168 .23 .0137 .0135 .0135 .0140 .0068 0 0 |
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Si(3) 0 0 .2520 .90 .0125 .0111 .0111 .0150 .0055 0 0 |
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O(9) .1597 .0338 .2400 .0300 .0180 .0420 .0310 .0160 -.0040 -.0110 |
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OH(10) 0 0 .2961 .0100 |
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OH(11) 0 0 .0897 .0160 .0700 .0070 .0330 .0040 0 0 |
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OH(12) 0 0 .1600 .0210 .0120 .0120 .0390 .0060 0 0 |
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OH(13) 0 0 .4090 .0350 .0290 .0290 .0450 .0150 0 0 |
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Ca 0 0 .3092 .10 .0100 |
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Chlorbartonite |
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Yakovenchuk V N, Pakhomovsky Y A, Men'shikov Y P, Ivanyuk G Y, |
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Krivovichev S V, Burns P C |
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The Canadian Mineralogist 41 (2003) 503-511 |
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Chlorbartonite, K6Fe24S26(Cl,S), a new mineral species from a hydrothermal |
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vein in the Khibina Massif, Kola Peninsula, Russia: Description and |
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crystal structure |
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Locality: Khibina Massif, Kola Peninsula, Russia |
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_database_code_amcsd 0005834 |
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10.3810 10.3810 20.614 90 90 90 I4/mmm |
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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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K1 .29581 0 0 .0233 .021 .026 .023 0 0 0 |
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K2 0 0 .15318 .0235 .0241 .0241 .022 0 0 0 |
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Fe1 .13076 .36801 .18394 .0159 .0174 .0161 .0143 .0000 -.0004 -.0005 |
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Fe2 .36856 .36856 .06625 .0161 .0160 .0160 .0164 -.0001 -.0001 -.0001 |
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S1 .22763 .22763 .11387 .0160 .0162 .0162 .0154 .0009 .0011 .0011 |
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S2 0 .24716 .25142 .0158 .0166 .0164 .0146 0 0 -.0006 |
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S3 .24677 1/2 0 .0157 .016 .017 .014 0 0 0 |
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S4 0 1/2 .12252 .0158 .016 .016 .015 0 0 0 |
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S5 0 0 .37261 .0161 .0170 .0170 .014 0 0 0 |
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Cl 0 0 0 .0217 .021 .021 .024 0 0 0 |
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Punkaruaivite |
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Yakovenchuk V N, Ivanyuk G Y, Pakhomovsky Y A, Selivanova E A, Men'shikov Y P, |
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Korchak J A, Krivovichev S V, Spiridonova D V, Zalkind O A |
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The Canadian Mineralogist 48 (2010) 41-50 |
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Punkaruaivite, LiTi2[Si4O11(OH)]2*H2O, a new mineral species from hydrothermal |
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assemblages, Khibiny and Lovozero alkaline massifs, Kola Peninsula, Russia |
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Locality: Khibiny and Lovozero alkaline massifs, Kola Peninsula, Russia |
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_database_code_amcsd 0006314 |
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26.688 8.7568 5.2188 90 91.189 90 C2/c |
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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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Li 0 .518 .25 .090 .0158 .0153 .0131 .0005 .0002 .0035 |
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Ti .16618 .10480 .8920 .0147 |
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Si1 .08868 .6008 .5131 .0492 .0467 .0424 .058 -.0087 .0012 .0025 |
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Si2 .26853 .08447 .2283 .0110 .0147 .0107 .0077 -.0009 00009 .0002 |
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O1 .20759 .0690 .2160 .0124 .015 .0130 00099 -.0003 .0011 .0012 |
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OH2 .12949 .0614 .5811 .0180 .018 .020 .016 .0024 -.0013 -.0047 |
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O3 .28699 .2594 .2216 .0166 .023 .014 .013 -.0027 -.0006 .0013 |
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O4 .29072 -.0061 -.0141 .0147 .016 .019 .0093 .0010 .0012 -.0036 |
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O5 .1214 .7493 .5087 .0289 .030 .025 .032 -.006 .007 .006 |
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O6 .0314 .6339 .507 .5 .112 .048 .092 .196 -.009 .018 -.002 |
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Wat6 .0314 .6339 .507 .5 .112 .048 .092 .196 -.009 .018 -.002 |
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O7 .1012 .5048 .767 .101 .112 .089 .104 .005 .015 .049 |
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Wat8 .0323 .109 .520 .5 .141 |
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Lamprophyllite |
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Krivovichev S V, Armbruster T, Yakovenchuk V N, Pakhomovsky Y A, Men'shikov Y P |
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European Journal of Mineralogy 15 (2003) 711-718 |
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Crystal structures of lamprophyllite-2M and lamprophyllite-2O |
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from the Lovozero alkaline massif, Kola peninsula, Russia |
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Note: displacement factors have been altered by Krivovichev, November 2003 |
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Locality: Lovozero alkaline massif, Kola peninsula, Russia |
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_database_code_amcsd 0007012 |
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19.215 7.061 5.3719 90 96.797 90 C2/m |
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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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Ti(1) .15057 0 .70775 .0056 .0074 .0046 .0045 0 0 0 |
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Ti(2) 0 1/2 0 .0246 .0288 .0050 .0339 0 -.0222 0 |
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Si .14390 .28459 .2049 .0078 .0103 .0051 .0078 .0010 0 .0004 |
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Na(1) 0 .2590 1/2 .0102 .0146 .0077 .0085 0 .0027 0 |
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Na(2) 0 0 0 .0174 .0190 .0170 .0172 0 .0062 0 |
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Sr .28418 0 .26213 .0153 .0214 .0128 .0116 0 .0009 0 |
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O(1) .4425 0 .2758 .0169 .0160 .0140 .0220 0 .0050 0 |
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O(2) .17480 .1889 .4674 .0155 .0155 .0158 .0146 -.0028 -.0005 .0061 |
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O(3) .17532 .1875 .9712 .0143 .0127 .0138 .0166 -.0021 .0028 -.0054 |
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O(4) .1777 .5000 .2200 .0113 .0130 .0050 .0150 0 -.0013 0 |
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O(5) .05951 .2965 .1725 .0127 .0092 .0087 .0198 .0005 -.0001 -.0018 |
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O(6) .0623 0 .6677 .0200 .0120 .0350 .0130 0 .0002 0 |
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|
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Lamprophyllite |
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Krivovichev S V, Armbruster T, Yakovenchuk V N, Pakhomovsky Y A, Men'shikov Y P |
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European Journal of Mineralogy 15 (2003) 711-718 |
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Crystal structures of lamprophyllite-2M and lamprophyllite-2O |
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from the Lovozero alkaline massif, Kola peninsula, Russia |
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Note: displacement factors have been altered by Krivovichev, November 2003 |
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Locality: Lovozero alkaline massif, Kola peninsula, Russia |
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_database_code_amcsd 0007013 |
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19.128 7.0799 5.3824 90 90 90 Pnmn |
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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 .34914 0 .1442 .0027 .0010 .0023 .0048 0 .0002 0 |
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Ti2 0 0 0 .0254 .0240 .0054 .0470 0 -.0280 0 |
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Si .14413 .2161 .1440 .0041 |
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Na1 .5 .2588 0 .0085 .0090 .0050 .0120 0 -.0024 0 |
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Na2 .5 0 .5 .0110 .0120 .0080 .0130 0 -.0050 0 |
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Sr .21584 0 .6453 .0126 .0135 .0097 .0145 0 -.0001 0 |
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OH1 .0570 0 .702 .0190 |
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O2 .3239 .1864 .3952 .0110 |
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O3 .3250 .1867 .8900 .0097 |
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O4 .1777 0 .1448 .0050 |
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O5 .0593 .2044 .1478 .0102 |
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O6 .4376 0 .141 .0190 |
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Fluorcalciobritholite |
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Pekov I V, Pasero M, Yaskovskaya A N, Chukanov N V, Pushcharovsky D Y, |
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Merlino S, Zubkova N V, Kononkova N N, Men'shikov Y P, Zadov A E |
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European Journal of Mineralogy 19 (2007) 95-103 |
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Fluorcalciobritholite, (Ca,REE)5[(Si,P)O4]3F, a new mineral: description and |
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crystal chemistry |
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Locality: Mount Kukisvumchorr, Khibiny alkaline complex, Kola Peninsula, Russia |
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_database_code_amcsd 0007198 |
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9.580 9.580 6.985 90 90 120 P6_3/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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Ca1 1/3 2/3 .0006 .654 .0311 .0367 .0367 .0200 .0183 0 0 |
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Ce1 1/3 2/3 .0006 .161 .0311 .0367 .0367 .0200 .0183 0 0 |
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La1 1/3 2/3 .0006 .094 .0311 .0367 .0367 .0200 .0183 0 0 |
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Nd1 1/3 2/3 .0006 .045 .0311 .0367 .0367 .0200 .0183 0 0 |
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Y1 1/3 2/3 .0006 .031 .0311 .0367 .0367 .0200 .0183 0 0 |
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Pr1 1/3 2/3 .0006 .014 .0311 .0367 .0367 .0200 .0183 0 0 |
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Ca2 .2487 .0107 .25 .566 .0330 .0366 .0310 .0258 .0126 0 0 |
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Ce2 .2487 .0107 .25 .203 .0330 .0366 .0310 .0258 .0126 0 0 |
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La2 .2487 .0107 .25 .118 .0330 .0366 .0310 .0258 .0126 0 0 |
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Nd2 .2487 .0107 .25 .057 .0330 .0366 .0310 .0258 .0126 0 0 |
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Y2 .2487 .0107 .25 .039 .0330 .0366 .0310 .0258 .0126 0 0 |
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Pr2 .2487 .0107 .25 .017 .0330 .0366 .0310 .0258 .0126 0 0 |
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Si .3718 .4001 .25 .650 .0261 .028 .031 .022 .017 0 0 |
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P .3718 .4001 .25 .350 .0261 .028 .031 .022 .017 0 0 |
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O1 .4677 .5906 .25 .043 .037 .032 .056 .014 0 0 |
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O2 .4866 .3255 .25 .037 .036 .057 .030 .032 0 0 |
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O3 .2563 .3432 .4310 .054 .048 .098 .034 .049 .013 .028 |
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F 0 0 .25 .092 .058 .058 .159 .029 0 0 |
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Sitinakite |
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Sokolova E V, Rastsvetaeva R K, Andrianov V I, Egorov-Tismenko Y K, |
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Men'shikov Y P |
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Soviet Physics Doklady 34 (1989) 583-585 |
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Locality: Khibinskii alkaline massif, Russia |
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The crystal structure of a new sodium titanosilicate |
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_database_code_amcsd 0015618 |
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7.819 7.819 12.099 90 90 90 P4_2/mcm |
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atom x y z occ Biso |
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Na 0 .5 0 3.3 |
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K1 .398 .398 .5 .1925 5.1 |
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K2 .463 .463 .372 .0763 6.7 |
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Ti .1387 .1387 .6535 .95 .62 |
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NbTi .1387 .1387 .6535 .05 .62 |
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Si 0 .5 .25 1.04 |
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O2 .1426 .1426 .5 1.0 |
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O3 .1142 .1142 .1723 1.2 |
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O4 .1195 .3828 .6700 1.3 |
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Wat1 .269 .269 0 3.4 |
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Wat5 .5 .5 .25 .82 4.7 |
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Wat6 .5 .5 .31 .1 6.6 |
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Wat7 .478 .478 .421 .0988 6.4 |
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Wat8 .42 .42 .161 .0688 4.4 |
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Na8 .42 .42 .161 .0275 4.4 |
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Ewaldite |
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Voloshin A V, Subbotin V V, Yakovenchuk V N, Pakhomovsky Y A, |
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Men'shikov Y P, Nadezhina T N, Pushcharovsky D Y |
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Zapiski Vsesoyuznogo Mineralogicheskogo Obshchestva 1992 (1992) 56-66 |
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New data on the ewaldite |
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_database_code_amcsd 0015721 |
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5.318 5.318 12.837 90 90 120 P6_3mc |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba 1/3 2/3 0 .008250 .008250 .002124 .004125 0 0 |
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Ca 1/3 2/3 .3045 .007543 .007543 .001062 .003772 0 0 |
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C 0 0 .427 .007190 .007190 .002124 .003654 0 0 |
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O1 .139 -.139 .426 .007425 .007425 .005765 .009429 .000423 -.000423 |
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O2 .292 .081 .665 .19 4.2 |
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O3 .532 .062 .151 .12 2.6 |
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O4 .603 .212 .277 .24 2.0 |
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O5 .231 .466 .703 .07 4.9 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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