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Tveitite |
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Yakubovich O V, Massa W, Pekov I V, Gavrilenko P G |
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Crystallography Reports 52 (2007) 71-79 |
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Crystal structure of tveitite-(Y): fractionation of rare-earth elements |
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between positions and the variety of defects |
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Locality: Rov-Gora Mountain, West Keivy, Kola Peninsula, Russia |
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_database_code_amcsd 0012393 |
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17.020 17.020 9.679 90 90 120 R-3 |
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atom x y z occ Uiso |
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YA1 .87106 .01720 .82517 .883 .0105 |
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NaA1 .87106 .01720 .82517 .11 .0105 |
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CaA2 .76076 .03251 .16022 .841 .0141 |
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NdA2 .76076 .03251 .16022 .159 .0141 |
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CaA3 .73790 .89618 .49980 .716 .0110 |
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NaA3 .73790 .89618 .49980 .204 .0110 |
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HoA3 .73790 .89618 .49980 .080 .0110 |
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CaA4 0 0 .5 .092 .0169 |
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NaA4 0 0 .5 .074 .0169 |
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F1 .8716 .0188 .5855 .0176 |
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F2 .7325 .8969 .7449 .0173 |
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F3 .8902 .1570 .7483 .0148 |
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F4 .7553 .0365 .4113 .0165 |
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F5 .7503 .0331 .9058 .0181 |
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F6 .8044 .9184 .9981 .72 .0271 |
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F7 .8898 .9032 .7646 .71 .0350 |
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F8 .8593 .8765 .9171 .30 .018 |
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F9 0 0 .929 .06 .030 |
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F10 0 0 .750 .10 .021 |
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F11 .001 .029 .973 .06 .033 |
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View JMOL 3-D Structure (permalink)
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Tveitite-(Y) |
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Bevan D J M, Strahle J, Greis O |
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Journal of Solid State Chemistry 44 (1982) 75-81 |
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The crystal structure of tveitite, an ordered yttrofluorite mineral |
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Note: a and b adjusted to match reported bond lengths |
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_database_code_amcsd 0013486 |
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16.9620 16.9620 9.6664 90 90 120 R-3 |
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atom x y z occ Biso |
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Y .0169 .1489 .1786 .60 |
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Ca1 0 0 .5353 .5 2.8 |
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Ca2 .2654 .2348 .1557 .1 |
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Ca3 .1749 .4059 .1672 1.2 |
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F1 .1958 .0831 .0040 1.0 |
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F2 .1102 .0975 .2349 1.4 |
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F3 .0190 .1495 .4146 .1 |
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F4 .2702 .1024 .2573 .3 |
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F5 .1576 .2686 .2515 .2 |
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F6 .0324 .2842 .0971 .4 |
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F7 .2955 .3838 .0744 .3 |
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F8 0 0 .060 .5 1.4 |
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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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