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Tokkoite |
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Rozhdestvenskaya I V, Nikishova L V, Lazebnik Yu D, Lazebnik K A |
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Zeitschrift fur Kristallographie 189 (1989) 195-204 |
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The crystal structure of tokkoite and its relation to the structure of tinaksite |
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Locality: Murun massif, southwestern Yakutia, Russia |
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Note: anisotropic temperature factors taken from ICSD |
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_database_code_amcsd 0010996 |
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10.438 12.511 7.112 89.92 99.75 92.89 P-1 |
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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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K1 .3189 .1155 .2080 .85 2.80 .004074 .003139 .027327 -.001091 .001319 -.000314 |
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K2 .4419 .3564 .7323 1.63 .003553 .003507 .005801 .000000 .000451 -.000285 |
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Ca1 .0244 -.1176 -.1151 .87 1.10 .002937 .002530 .004427 .000117 .000555 .000714 |
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Ti1 .0244 -.1176 -.1151 .13 1.10 .002937 .002530 .004427 .000117 .000555 .000714 |
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Ca2 .0077 -.1188 .3748 .85 .95 .003174 .001377 .004682 .000818 .001250 .000114 |
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Na2 .0077 -.1188 .3748 .15 .95 .003174 .001377 .004682 .000818 .001250 .000114 |
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Ca3 .1208 .5872 -.0920 .855 .76 .001705 .001505 .003664 -.000058 -.000208 -.000200 |
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Fe3 .1208 .5872 -.0920 .075 .76 .001705 .001505 .003664 -.000058 -.000208 -.000200 |
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Mn3 .1208 .5872 -.0920 .04 .76 .001705 .001505 .003664 -.000058 -.000208 -.000200 |
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Mg3 .1208 .5872 -.0920 .03 .76 .001705 .001505 .003664 -.000058 -.000208 -.000200 |
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Ca4 .1241 .5831 .4042 .855 .87 .002108 .000961 .004631 .000019 .000625 .000257 |
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Fe4 .1241 .5831 .4042 .075 .87 .002108 .000961 .004631 .000019 .000625 .000257 |
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Mn4 .1241 .5831 .4042 .04 .87 .002108 .000961 .004631 .000019 .000625 .000257 |
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Mg4 .1241 .5831 .4042 .03 .87 .002108 .000961 .004631 .000019 .000625 .000257 |
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Si1 .3196 .8096 .4191 .91 .001682 .001505 .004478 .000409 .000208 .000029 |
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Si2 .3241 -.1891 -.0104 .94 .002582 .001345 .005038 .000019 .001076 .000285 |
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Si3 .1355 .3134 -.1203 .82 .001090 .001617 .003613 -.000019 -.000208 .000086 |
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Si4 .1328 .3119 .4347 .73 .001563 .001329 .003460 -.000039 .000729 -.000200 |
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Si5 .3178 .4211 .2018 .74 .001421 .001281 .004631 .000409 .000937 -.000114 |
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Si6 .2842 -.0167 .6949 1.05 .003576 .001425 .005191 .000117 .001180 .000057 |
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Si7 .4010 .6484 .7248 .85 .001847 .001569 .001934 .000409 .000312 .000314 |
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O2 .2778 .3500 .0062 .92 .002534 .002034 .003308 .000156 -.000590 -.002341 |
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O3 .2727 .3460 .3716 .98 .002558 .001457 .005954 .000545 .000486 -.000542 |
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O4 .4753 .4274 .2467 .66 .002203 .001409 .006361 -.000779 .003125 -.000828 |
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O5 .0936 .1938 -.0674 1.56 .003766 .001810 .008397 .000487 -.000312 .001285 |
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O6 .1730 .7656 .3941 .68 .001729 .001361 .002697 -.000798 -.001042 .000086 |
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O7 .1311 -.0258 .6599 1.48 .001374 .002082 .009160 -.000545 -.001840 .002398 |
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O8 .3487 -.0724 -.1023 1.39 .003103 .001201 .006615 -.000857 -.000417 .001227 |
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O9 .3428 -.0743 .5220 1.00 .002582 .001041 .008142 -.000623 .002743 -.000371 |
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O10 .3811 .8234 .2204 1.14 .003245 .001713 .004885 .001130 .003055 .000228 |
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O11 .4186 .7263 .5426 1.07 .000853 .003043 .008142 .000545 .000486 .001028 |
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O12 .4205 .7277 .9129 1.45 .005613 .002546 .004783 .001655 .000521 .000228 |
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O13 .1714 .3058 .6690 1.40 .005969 .002114 .002544 .000662 .001076 -.000143 |
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O14 .1777 .7688 -.0626 1.33 .001208 .002146 .006310 .000876 -.000660 -.000742 |
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O15 .0830 .1948 .3646 1.52 .002487 .001826 .010229 -.000370 -.001562 -.000771 |
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O16 .0334 .4052 .8847 .60 .000545 .001249 .004275 .001130 .001146 .000771 |
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O17 .0315 .4036 .3786 .94 .003221 .001361 .006615 -.001266 .000486 -.000942 |
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O18 .2697 .5780 .6945 .81 .001445 .002178 .000916 .000312 .000312 -.001570 |
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O19 .2610 .5352 .1891 .99 .002605 .001377 .003053 .000078 .001007 -.000171 |
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Oh1 .3405 .1073 .7022 1.72 .005732 .001393 .015368 -.001402 .000243 .001285 |
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F20 .1001 .9810 .1504 .61 2.37 .004382 .004580 .013333 -.000136 .000278 .002112 |
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OH20 .1001 .9810 .1504 .39 2.37 .004382 .004580 .013333 -.000136 .000278 .002112 |
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H .403 .104 .73 3.40 |
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Fenaksite |
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Rozhdestvenskaya I V, Bannova I I, Nikishova L V, Soboleva T V |
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Doklady Earth Sciences 398 (2004) 1029-1033 |
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The crystal structure of fenaksite K2Na2Fe2Si8O20 |
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Locality: synthetic |
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_database_code_amcsd 0012511 |
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8.142 9.954 6.983 100.21 114.13 105.87 P-1 |
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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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K .20125 .00942 .34106 .0209 .0144 .0211 .0267 .00604 .00859 .0108 |
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Na .1435 .41038 .6660 .0229 .0414 .0122 .0146 .0061 .0153 .0058 |
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Fe .10795 .40673 .15634 .00999 .01053 .00853 .01067 .00341 .00556 .00201 |
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Si1 .35852 .72997 .12574 .00796 .0086 .0084 .0071 .00258 .00432 .00301 |
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Si2 .35887 .72840 .55640 .00859 .0097 .0086 .0066 .00238 .00415 .00198 |
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Si3 .17367 .86816 .79338 .00833 .0102 .0060 .0089 .00332 .00454 .00243 |
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Si4 .69635 .78618 .03015 .00750 .0080 .0063 .0086 .00310 .00425 .00228 |
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O1 .5496 .7112 .1197 .0165 .0159 .0206 .0249 .0104 .0156 .0141 |
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O2 .3257 .86531 .0326 .0131 .0150 .0100 .0113 .0040 .0037 .0051 |
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O3 .4215 .7940 .3874 .0140 .0165 .0141 .0076 .0002 .0069 .0021 |
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O4 .1697 .58196 .9953 .0114 .0104 .0084 .0125 .0025 .0040 .0028 |
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O5 .2184 .5602 .4568 .0178 .0245 .0094 .0122 .0017 .0090 .0005 |
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O6 .4331 .2302 .2272 .0171 .0138 .0256 .0091 .0073 .0032 .0058 |
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O7 .7464 .1660 .3816 .0172 .0235 .0226 .0159 .0155 .0137 .0089 |
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O8 .0438 .2395 .2994 .0154 .0117 .0120 .0190 .0012 .0056 .0071 |
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O9 .8101 .96193 .1744 .0166 .0156 .0062 .0199 .0043 .0024 .0012 |
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O10 .8553 .71690 .0685 .0124 .0128 .0121 .0153 .0080 .0077 .0039 |
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Frankamenite |
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Rozhdestvenskaya I V, Nikishova L V, Lazebnik K A |
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Mineralogical Magazine 60 (1996) 897-905 |
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The crystal structure of frankamenite |
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Locality: South Yukutia, Russia |
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_database_code_amcsd 0014522 |
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10.094 12.691 7.240 90.00 111.02 110.20 P1 |
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atom x y z occ Biso |
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K1 .000 .4991 .478 .87 3.4 |
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K2 .3167 .4984 .1586 1.78 |
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K3 .6847 .5018 .8410 1.77 |
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NaM1 0 0 0 1.1 |
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CaM2 .0098 -.0025 .5078 .68 |
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NaM3 .5081 .0062 .2536 .52 .90 |
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CaM3 .5081 .0062 .2536 .48 .90 |
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NaM4 .3295 .1588 -.0831 .46 .88 |
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CaM4 .3295 .1588 -.0831 .54 .88 |
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NaM5 .6700 .8411 .5870 .3 .84 |
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CaM5 .6700 .8411 .5870 .7 .84 |
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NaM6 .4906 -.0069 .7460 .31 .94 |
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CaM6 .4906 -.0069 .7460 .69 .94 |
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NaM7 .3295 .1585 .4128 .27 .97 |
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CaM7 .3295 .1585 .4128 .73 .97 |
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NaM8 .6704 .8413 .0848 .28 .73 |
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CaM8 .6704 .8413 .0848 .72 .73 |
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Si1 .0367 .2468 .8014 .59 |
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Si2 .2888 .7521 .9306 .65 |
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Si3 .2757 .3678 .6372 .61 |
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Si4 .4078 .6312 .7031 .66 |
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Si5 .0371 .2461 .2348 .79 |
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Si6 .2890 .7516 .3578 .79 |
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Si7 .9625 .7533 .1977 .71 |
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Si8 .7110 .2483 .0690 .60 |
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Si9 .7248 .6322 .3633 .67 |
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Si10 .5919 .3691 .2962 .70 |
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Si11 .9632 .7535 .7649 .61 |
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Si12 .7116 .2481 .6420 .72 |
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O1 .066 .1331 .780 1.2 |
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O2 .165 .3552 .766 1.3 |
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O3 .420 .2855 .208 1.5 |
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O4 .392 .4992 .697 1.2 |
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O5 .310 .6425 .836 1.2 |
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O6 .130 .7582 .782 1.3 |
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O7 .566 .1333 .025 1.4 |
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O8 .635 .7170 .316 1.4 |
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O9 .053 .2829 .028 1.1 |
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O10 .264 .7090 .132 1.2 |
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O11 .065 .1322 .284 1.0 |
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O12 .164 .3555 .401 1.3 |
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O13 .310 .6434 .477 1.5 |
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O14 .130 .7576 .349 1.6 |
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O15 .568 .1333 .540 1.4 |
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O16 -.066 .8668 .218 1.2 |
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O17 .832 .6447 .232 0.9 |
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O18 .582 .7127 .792 1.3 |
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O19 .606 .5009 .306 1.0 |
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O20 .688 .3561 .161 1.2 |
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O21 .872 .2450 .220 1.7 |
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O22 .430 .8658 .969 1.1 |
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O23 .367 .2853 .684 1.2 |
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O24 -.054 .7172 .975 1.0 |
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O25 .737 .2900 .870 1.1 |
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O26 -.066 .8663 .712 0.9 |
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O27 .835 .6448 .597 1.1 |
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O28 .690 .3560 .524 1.1 |
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O29 .871 .2425 .652 1.3 |
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O30 .431 .8666 .461 1.2 |
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OH1 .262 .0310 .630 0.6 |
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OH2 .738 .9679 .370 1.5 |
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F1 .275 .0381 .139 2.1 |
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F2 .722 .9657 .859 1.8 |
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Wat .004 .498 -.039 .78 4.0 |
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Pertsevite-(F) |
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Brovkin A A, Nikishova L V |
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Soviet Physics - Crystallography 20 (1975) 452-455 |
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The crystal structure of a-Mg2BO3F and the isomorphic substitution (3F)=(BO3) |
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Locality: synthetic |
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_database_code_amcsd 0015570 |
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20.44 4.530 11.80 90 90 90 Pna2_1 |
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atom x y z occ Biso |
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Mg1 .0149 .504 .0235 .5 |
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Mg2 .4859 .974 .2699 .6 |
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Mg3 .2453 .468 .2591 .3 |
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Mg4 .2542 .956 .0319 .3 |
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Mg5 .1276 .974 .1657 .6 |
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Mg6 .1157 .482 .3989 .6 |
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Mg7 .3812 .486 .1201 .5 |
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Mg8 .3780 .472 .393 .2 |
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B1 .344 .924 .233 .3 |
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B2 .183 .927 .394 .3 |
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B3 .157 .445 .061 .1 |
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B4 .023 .032 .428 .2 |
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B5 .024 .07 .193 .56 .3 |
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O1 .0389 .743 .156 .56 .5 |
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F1 .0389 .743 .156 .44 .5 |
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O2 .0295 .747 .395 .6 |
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O3 .1015 .280 .027 .9 |
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O4 .0665 .200 .492 .5 |
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O5 .1665 .732 .030 .3 |
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O6 .1703 .782 .494 .2 |
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O7 .1986 .289 .125 .4 |
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O8 .2002 .215 .390 .1 |
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O9 .3006 .773 .161 .2 |
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O10 .4663 .269 .142 .56 .4 |
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F10 .4663 .269 .142 .44 .4 |
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O11 .4669 .303 .391 .2 |
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O12 .1704 .758 .297 .5 |
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O13 .3366 .222 .253 .3 |
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O14 .0722 .254 .263 .56 .8 |
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F14 .0722 .254 .263 .44 .8 |
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O15 .3989 .788 .265 .1 |
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F .2889 .644 .395 .3 |
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|
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