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Perraultite |
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Yamnova N A, Egorov-Tismenko Y K, Pekov I V |
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Crystallography Reports 43 (1998) 401-410 |
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Crystal structure of perraultite from the coastal region of the Sea of Azov |
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Locality: Sea of Azov, Mariupol massif, Ukraine |
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10.731 13.841 20.845 90 95.06 90 C2 |
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atom x y z occ Biso |
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BaA1 0 .0265 0 .68 |
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BaA2 0 .5666 0 .5 .70 |
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KA2 0 .5666 0 .4 .70 |
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BaA3 .7603 .7809 .4996 .5 .93 |
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KA3 .7603 .7809 .4996 .4 .93 |
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NaA4 0 .542 .5 .70 |
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NaA5 0 .036 .5 .5 .97 |
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CaA5 0 .036 .5 .5 .97 |
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NaA6 .252 .776 .0025 .75 .88 |
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CaA6 .252 .776 .0025 .25 .88 |
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FeM1 .8729 .0344 .2554 1.43 |
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MnM2 .8759 .2712 .2446 1.46 |
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FeM3 .8776 .5252 .2558 .97 |
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MnM4 .8735 .7768 .2447 .8 .77 |
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ZrM4 .8735 .7768 .2447 .15 .77 |
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FeM4 .8735 .7768 .2447 .05 .77 |
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MnM5 .1236 .4158 .2533 .9 1.35 |
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FeM6 .1194 .8963 .2422 .65 |
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MnM7 .1214 .1487 .2470 .44 |
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MnM8 .1227 .6536 .2498 .97 |
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Ti1 .7420 .0102 .4041 .90 |
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Ti2 .7229 .5433 .3972 .70 |
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Ti3 .0157 .2512 .1016 .92 .32 |
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Nb3 .0157 .2512 .1016 .08 .32 |
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Ti4 .0151 .7930 .1014 .92 .19 |
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Nb4 .0151 .7930 .1014 .08 .19 |
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Si1 .9739 .1739 .3803 1.0 |
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Si2 .9799 .6550 .3797 1.2 |
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Si3 .2587 .4184 .1174 .6 |
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Si4 .2890 .9246 .1201 .9 |
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Si5 .280 .1364 .1204 .7 |
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Si6 .255 .6332 .1195 1.5 |
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Si7 .984 .3977 .3847 .8 |
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Si8 .980 .8808 .3788 1.0 |
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OH1 0 .799 0 .8 |
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OH2 .034 .023 .2058 .5 1.2 |
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F2 .034 .023 .2058 .5 1.2 |
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OH3 .200 .791 .2933 .5 1.3 |
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F3 .200 .791 .2933 .5 1.3 |
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O4 .971 .398 .3049 .8 |
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OH5 0 .235 0 1.1 |
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O6 .267 .409 .195 1.2 |
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O7 .967 .1565 .3051 1.3 |
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O8 .285 .649 .196 .5 |
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O9 .297 .137 .202 1.5 |
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O10 .152 .893 .087 1.2 |
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O11 .391 .3907 .0857 1.3 |
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O12 .967 .644 .298 1.5 |
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O13 .290 .9073 .1978 1.4 |
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OH14 .039 .537 .2062 .5 1.9 |
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F14 .039 .537 .2062 .5 1.9 |
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O15 .962 .898 .3026 .8 |
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OH16 .7652 .0084 .5030 .5 |
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OH17 .717 .779 .2963 .5 1.2 |
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F17 .717 .779 .2963 .5 1.2 |
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O18 .383 .2045 .0840 1.0 |
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O19 .726 .031 .3084 1.4 |
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O20 .024 .791 .1831 1.0 |
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O21 .144 .700 .0847 .9 |
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O22 .033 .268 .1899 .5 |
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O23 .710 .523 .3133 1.4 |
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O24 .327 .027 .1000 .6 |
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O25 .854 .644 .4197 1.7 |
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O26 .606 .955 .4159 1.6 |
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O27 .123 .633 .4203 1.5 |
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O28 .857 .894 .4164 1.2 |
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O29 .378 .843 .0878 1.6 |
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O30 .887 .105 .4154 2.3 |
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O31 .092 .107 .4136 1.6 |
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O32 .603 .437 .4139 1.7 |
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O33 .148 .3460 .0855 .6 |
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O34 .137 .1516 .0872 .4 |
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O35 .867 .451 .4133 .6 |
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O36 .209 .523 .0981 1.2 |
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O37 .036 .282 .3988 1.9 |
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O38 .022 .768 .4005 1.8 |
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O39 .390 .649 .0886 1.1 |
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