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Bultfonteinite |
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McIver E J |
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Acta Crystallographica 16 (1963) 551-558 |
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The structure of bultfonteinite, Ca4Si2O10F2H6 |
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Locality: Bultfontein mine, Kimberley, South Africa |
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_database_code_amcsd 0009278 |
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10.992 8.185 5.671 93.95 91.32 89.85 P-1 |
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atom x y z Biso |
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Ca1 .1331 .7938 .7834 .66 |
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Ca2 .3695 .7942 .2873 .70 |
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Ca3 .1204 .4759 .2495 .76 |
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Ca4 .3829 .4791 .7448 .80 |
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Si1 .4266 .2404 .2146 .50 |
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Si2 .0701 .2397 .7325 .50 |
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O1 .2797 .2678 .1841 .53 |
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O2 .2192 .2708 .7593 .57 |
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O3 .0162 .3280 .4955 .37 |
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O4 .0018 .3152 .9597 .40 |
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O5 .4935 .6830 .9870 .53 |
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O6 .4795 .3190 .4575 .57 |
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OH1 .0422 .0382 .7003 .40 |
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OH2 .4580 .0369 .1963 .50 |
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F1 .2512 .6186 .0250 .43 |
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F2 .2478 .6253 .5061 .27 |
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Wat1 .1935 .9564 .1642 .70 |
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Wat2 .3094 .9579 .6488 .90 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Bultfonteinite |
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Biagioni C, Bonaccorsi E, Merlino S |
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Atti della Societa Toscana di Scienze Naturali, Memorie, Serie A 115 (2010) 9-15 |
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Crystal structure of bultfonteinite, Ca4[SiO3(OH)]2F2*2H2O, from N'chwaning II mine |
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(Kalahari Manganese Field, Republic of South Africa) |
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Locality: N'chwaning II mine, South Africa |
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_database_code_amcsd 0018795 |
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10.999 8.176 5.6678 94.24 89.00 90.18 P-1 |
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atom x y z occ Uiso |
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Ca1 .1326 .7934 .7841 .0108 |
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Ca2 .3686 .7940 .2849 .0107 |
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Ca3 .1195 .4778 .2492 .0105 |
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Ca4 .3820 .4804 .7467 .0105 |
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Si1 .4280 .2392 .2142 .0091 |
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Si2 .0701 .2393 .7278 .0089 |
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F1 .2513 .6226 .0130 .0122 |
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F2 .2490 .6230 .5118 .0113 |
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O3 .0438 .0413 .6971 .5 .0132 |
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OH3 .0438 .0413 .6971 .5 .0132 |
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O4 .4563 .0400 .1965 .5 .0152 |
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OH4 .4563 .0400 .1965 .5 .0152 |
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O5 .2810 .2685 .1897 .5 .0133 |
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OH5 .2810 .2685 .1897 .5 .0133 |
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O6 .2172 .2688 .7540 .5 .0119 |
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OH6 .2172 .2688 .7540 .5 .0119 |
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O7 .0101 .3214 .5005 .0120 |
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O8 .0069 .3184 .9647 .0112 |
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Wat9 .1908 .9587 .1603 .0196 |
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Wat10 .3102 .9564 .6566 .0205 |
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O11 .5066 .6809 .0034 .0094 |
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O12 .4867 .3208 .4580 .0112 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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