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Murdochite |
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Christ C L, Clark J R |
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American Mineralogist 40 (1955) 907-916 |
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The crystal structure of murdochite |
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disordered model |
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_database_code_amcsd 0000075 |
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9.210 9.210 9.210 90 90 90 Fm3m |
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atom x y z occ |
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Pb 0 0 0 |
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Cu1 .5 .5 .5 .857 |
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Cu2 0 .25 .25 .857 |
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O1 .25 .25 .25 |
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O2 .25 0 0 |
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Murdochite |
|
Christ C L, Clark J R |
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American Mineralogist 40 (1955) 907-916 |
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The crystal structure of murdochite |
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ordered model |
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_database_code_amcsd 0000076 |
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9.210 9.210 9.210 90 90 90 Fm-3m |
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atom x y z |
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Pb 0 0 0 |
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Cu 0 .25 .25 |
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O1 .25 .25 .25 |
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O2 .25 0 0 |
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Strontioginorite |
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Konnert J A, Clark J R, Christ C L |
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American Mineralogist 55 (1970) 1911-1931 |
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Crystal structure of strontioginorite, (Sr,Ca)2B14O20(OH)6.5H2O |
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_database_code_amcsd 0000214 |
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12.817 14.448 12.783 90 101.42 90 P2_1/a |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Sr .6178 .1711 .7364 .00265 .00120 .00201 .00008 .00122 .00013 |
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Ca .1264 .2187 .2463 .0015 .0007 .0013 -.0002 .0008 .0000 |
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B1 .3903 .2010 -.1236 .7 |
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B2 .4334 .3031 .0504 1.0 |
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B3 .2622 .1961 .0125 .8 |
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B4 .5752 .2551 -.0426 .7 |
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B5 .3410 .2573 .1920 .8 |
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B6 .3046 .0571 -.0796 1.1 |
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B7 .3902 .3189 .3781 .7 |
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B8 .4223 .2021 .5384 .9 |
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B9 .2549 .3110 .5049 .8 |
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B10 .5704 .2546 .4567 .8 |
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B11 .3364 .2530 .6868 .5 |
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B12 .2922 .4571 .4152 .8 |
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B13 .4099 .0668 .4092 .9 |
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B14 .5247 .0623 .2736 .9 |
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O1 .3667 .2306 -.0165 .6 |
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O2 .4324 .2890 .1635 1.0 |
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O3 .2627 .2156 .1239 1.0 |
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O4 .2574 .0967 -.0046 1.2 |
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O5 .3645 .1038 -.1369 1.1 |
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O6 .5032 .2121 -.1213 1.0 |
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O7 .5443 .2942 .0439 1.2 |
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OH8 .2923 -.0375 -.1003 2.1 |
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OH9 .3876 .3922 .0146 1.7 |
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O10 .1774 .2449 -.0557 1.2 |
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O11 .3221 .2682 .2933 .9 |
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O12 .3628 .2839 .4816 .5 |
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O13 .4122 .2040 .6507 .9 |
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O14 .2589 .3007 .6183 .9 |
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O15 .2349 .4071 .4757 .9 |
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O16 .3680 .4175 .3694 1.0 |
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O17 .5030 .3049 .3809 .8 |
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O18 .5358 .2136 .5399 .9 |
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OH19 .2707 .5488 .3972 1.9 |
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O20 .3810 .1160 .4898 1.0 |
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OH21 .3730 -.0219 .3899 1.5 |
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O22 .4742 .1041 .3465 1.3 |
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OH23 .5046 -.0264 .2415 1.8 |
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OH24 .5952 .1170 .2329 1.5 |
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O25 .1729 .2518 .4419 .9 |
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O26 .3285 .2568 .7919 1.0 |
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Wat1 .1096 .1489 .7207 2.3 |
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Wat2 .1537 .0614 .2715 2.6 |
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Wat3 .2367 .4502 .8493 2.1 |
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Wat4 .0167 .0384 .8661 2.8 |
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Wat5 .0509 -.0246 .4008 2.8 |
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Veatchite |
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Clark J R, Christ C L |
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American Mineralogist 56 (1971) 1934-1954 |
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Veatchite: Crystal structure and correlations with p-veatchite |
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_database_code_amcsd 0000265 |
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20.860 11.738 6.652 90 92.10 90 Aa |
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atom x y z Biso |
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Sr1 .1124 .0359 .5256 .73 |
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Sr2 0 .1881 0 .62 |
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B1 .128 .331 .724 .9 |
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B2 .154 .485 .485 .4 |
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B3 .130 .288 .365 .8 |
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B4 .147 .695 .514 .5 |
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B5 .256 .595 .5 1.8 |
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B6 -.007 .393 .308 .2 |
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B7 -.026 .239 .536 -.8 |
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B8 -.013 .436 .663 .7 |
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B9 -.033 .024 .504 .4 |
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B10 -.135 .126 .514 .1 |
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B11 -.159 .209 .011 1.9 |
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O1 .122 .297 .919 .3 |
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O2 .125 .443 .678 .2 |
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O3 .130 .252 .569 .7 |
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O4 .135 .400 .322 .2 |
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O5 .220 .493 .506 1.6 |
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O6 .120 .594 .424 .2 |
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O7 .127 .201 .233 .4 |
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O8 .220 .699 .505 1.6 |
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OH9 .318 .592 .507 3.0 |
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O10 .003 .424 .110 .6 |
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O11 -.007 .281 .345 .4 |
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O12 -.013 .472 .459 1.0 |
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O13 -.015 .323 .700 .8 |
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O14 -.104 .226 .519 .6 |
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O15 -.002 .131 .594 .6 |
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O16 -.006 .522 .801 .9 |
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O17 -.096 .022 .513 .9 |
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OH18 -.198 .115 .504 2.0 |
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OH19 -.219 .210 .003 2.5 |
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OH20 -.113 .296 .015 1.8 |
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OH21 -.123 .107 .005 1.9 |
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Wat .229 .071 .532 2.4 |
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Gowerite |
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Konnert J A, Clark J R, Christ C L |
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American Mineralogist 57 (1972) 381-396 |
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Gowerite, CaB5O8(OH).B(OH)3.3H2O: Crystal structure and comparison with |
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related borates |
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_database_code_amcsd 0000273 |
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12.882 16.360 6.558 90 121.62 90 P2_1/a |
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atom x y z Biso |
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Ca .1908 .2521 .0879 1.46 |
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B1 .631 .239 .577 1.8 |
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B2 .440 .309 .492 2.0 |
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B3 .477 .274 .172 1.9 |
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B4 .345 .313 .731 2.0 |
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B5 .418 .439 .647 2.0 |
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B6 .232 .071 .061 3.2 |
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O1 .238 .293 .741 2.4 |
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O2 .554 .262 .650 2.2 |
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O3 .595 .251 .341 2.5 |
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O4 .400 .295 .240 2.5 |
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O5 .468 .397 .548 2.5 |
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O6 .342 .282 .523 2.1 |
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O7 .455 .279 -.051 2.5 |
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O8 .356 .403 .742 2.6 |
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OH9 .429 .524 .665 3.6 |
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OH10 .183 .109 .171 3.5 |
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OH11 .288 .127 -.015 4.0 |
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OH12 .229 -.010 .021 4.2 |
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Wat1 .131 .390 .062 4.0 |
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Wat2 .087 .453 .418 8.8 |
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Wat3 .384 .109 .711 5.3 |
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|
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Lazulite |
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Lindberg M L, Christ C L |
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Acta Crystallographica 12 (1959) 695-697 |
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Crystal structures of the isostructural minerals lazulite, |
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scorzalite and barbosalite |
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_database_code_amcsd 0009233 |
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7.16 7.26 7.24 90 120.67 90 P2_1/c |
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atom x y z Biso |
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Mg 0 0 0 .6 |
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Al .732 .266 .004 .6 |
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P .250 .113 .749 .6 |
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O1 .222 0 .901 .6 |
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O2 .286 0 .589 .6 |
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O3 .048 .253 .130 .6 |
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O4 .443 .244 .377 .6 |
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OH5 .754 .135 .749 .6 |
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|
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Scorzalite |
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Lindberg M L, Christ C L |
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Acta Crystallographica 12 (1959) 695-697 |
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Crystal structures of the isostructural minerals lazulite, |
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scorzalite and barbosalite |
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_database_code_amcsd 0009234 |
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7.15 7.31 7.25 90 120.58 90 P2_1/c |
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atom x y z Biso |
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Fe 0 0 0 .65 |
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Al .732 .267 .004 .65 |
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P .249 .111 .747 .65 |
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O1 .219 0 .905 .65 |
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O2 .291 0 .589 .65 |
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O3 .046 .254 .129 .65 |
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O4 .432 .251 .366 .65 |
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OH5 .746 .130 .747 .65 |
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|
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Fabianite |
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Konnert J A, Clark J R, Christ C L |
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Zeitschrift fur Kristallographie 132 (1970) 241-254 |
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Crystal structure of fabianite, CaB3O5(OH), and comparison with the |
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structure of its syntheic dimorph |
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Locality: salt deposits near Diepholz, Germany |
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_database_code_amcsd 0010718 |
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6.593 10.488 6.365 90 113.38 90 P2_1/a |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .3041 .4371 .6372 .91 .0070 .0024 .0044 -.0001 .0019 .0003 |
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B1 .4139 .1124 .7556 .95 .0090 .0023 .0038 .0000 .0025 .0001 |
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B2 .7562 .0765 .1259 .97 .0100 .0022 .0034 -.0002 .0028 .0003 |
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B3 .5174 .2690 .0739 .93 .0071 .0022 .0056 -.0003 .0023 .0001 |
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OH1 .4243 .1284 .5278 1.03 .0090 .0026 .0044 -.0003 .0022 .0002 |
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O2 .3930 .2387 .8489 .99 .0083 .0021 .0047 .0003 .0009 -.0001 |
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O3 .2161 .0325 .7225 .91 .0059 .0025 .0049 .0001 .0012 .0005 |
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O4 .6207 .0502 .8902 .88 .0072 .0023 .0036 -.0004 .0014 -.0001 |
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O5 .6739 .1892 .2175 1.03 .0089 .0022 .0046 -.0004 .0011 .0004 |
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O6 .9845 .1131 .1527 1.10 .0076 .0026 .0067 -.0001 .0017 -.0011 |
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|
| Download AMC data (View Text File)
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|
| |
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