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Zirconolite |
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Mazzi F, Munno R |
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American Mineralogist 68 (1983) 262-276 |
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Calciobetafite (new mineral of the pyrochlore group) and related minerals from |
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Campi Flegrei, Italy; crystal structures of polymignyte and zirkelite: |
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comparison with pyrochlore and zirconolite |
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Note: polytype zirconolite-3O |
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Locality: Campi Flegrei, Italy |
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10.148 14.147 7.278 90 90 90 Acam |
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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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Ca1 .75 .11594 .25 .529 0.0014 0.0009 0.0029 0 0.0002 0 |
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Na1 .75 .11594 .25 .045 0.0014 0.0009 0.0029 0 0.0002 0 |
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Th1 .75 .11594 .25 .017 0.0014 0.0009 0.0029 0 0.0002 0 |
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Ce1 .75 .11594 .25 .409 0.0014 0.0009 0.0029 0 0.0002 0 |
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Zr1 .01505 .23319 .5 0.0013 0.0005 0.0033 -.0001 0 0 |
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Ti1 0 0 0 .517 0.0015 0.0009 0.0049 -.0001 0 0 |
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Nb1 0 0 0 .469 0.0015 0.0009 0.0049 -.0001 0 0 |
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Ta1 0 0 0 .014 0.0015 0.0009 0.0049 -.0001 0 0 |
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Ti2 .25 .13323 .25 .878 0.0013 0.0008 0.0026 0 0.0002 0 |
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Nb2 .25 .13323 .25 .119 0.0013 0.0008 0.0026 0 0.0002 0 |
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Ta2 .25 .13323 .25 .003 0.0013 0.0008 0.0026 0 0.0002 0 |
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Fe1 0 0 .4306 .462 0.0051 0.0016 0.0120 0.0021 0 0 |
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Fe2 .039 .015 .5 .029 0.3 |
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O1 .1259 .0333 .1903 0.0016 0.0011 0.0063 0.0002 -.0011 -.0001 |
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O2 .1197 .2331 .2104 0.0017 0.0009 0.0064 0.0005 -.0004 0.0003 |
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O3 -.1007 .1089 .5 0.0021 0.0008 0.0066 -.0002 0 0 |
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O4 -.0904 .1295 0 0.0025 0.0009 0.0039 -.0002 0 0 |
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O5 .1799 .1396 .5 0.0024 0.0016 0.0027 0.0006 0 0 |
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Zirconolite |
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Rossell H J |
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Nature 283 (1980) 282-283 |
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Zirconolite - a fluorite-related superstructure |
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Locality: Synthetic |
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Note polytype Zirconolite-2M |
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12.4458 7.2734 11.3942 90 100.533 90 C2/c |
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atom x y z occ |
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CaM1 .3718 .1245 .4952 |
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ZrM2 .1225 .1222 -.0258 .93 |
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TiM2 .1225 .1222 -.0258 .07 |
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TiM3 .2498 .1223 .7465 |
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TiM4 .5 .055 .25 .86 |
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ZrM4 .5 .055 .25 .14 |
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TiM5 0 .127 .25 |
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O1 .310 .133 .275 |
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O2 .470 .146 .102 |
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O3 .197 .083 .573 |
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O4 .403 .174 .719 |
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O5 .702 .169 .590 |
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O6 -.001 .111 .414 |
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O7 .119 .055 .788 |
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| Download AMC data (View Text File)
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Zirconolite |
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Grey I E, Mumme W G, Ness T J, Roth R S, Smith K L |
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Journal of Solid State Chemistry 174 (2003) 285-295 |
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Structural relations between weberite and zirconolite polytypes - refinements |
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of doped 3T and 4M Ca2Ta2O7 and 3T CaZrTi2O7 |
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Locality: synthetic |
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Sample: T = 123 K |
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Note: polytype Zirconolite-3T |
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7.228 7.228 16.805 90 90 120 P3_121 |
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atom x y z occ Uiso |
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CaM1 .8325 0 1/3 .840 .0071 |
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ThM1 .8325 0 1/3 .040 .0071 |
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ZrM1 .8325 0 1/3 .12 .0071 |
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CaM2 .3342 0 1/3 .618 .0096 |
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ThM2 .3342 0 1/3 .262 .0096 |
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ZrM2 .3342 0 1/3 .12 .0096 |
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ZrM3 .1647 .6633 .01782 .96 .0071 |
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CaM3 .1647 .6633 .01782 .04 .0071 |
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TiM4 .3291 0 5/6 .44 .0063 |
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AlM4 .3291 0 5/6 .44 .0063 |
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ZrM4 .3291 0 5/6 .12 .0063 |
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TiM5 .9217 .050 .8319 .26 .016 |
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ZrM5 .9217 .050 .8319 .06 .016 |
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AlM5' .917 .110 .833 .18 .016 |
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TiM6 .4995 .3323 .16426 .82 .0085 |
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AlM6 .4995 .3323 .16426 .08 .0085 |
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ZrM6 .4995 .3323 .16426 .10 .0085 |
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O1 .600 .629 .1450 .019 |
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O2 .007 .828 .0669 .012 |
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O3 .526 .305 .0469 .007 |
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O4 .192 .218 .1458 .012 |
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O5 .525 .889 .0546 .009 |
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O6 .939 .309 .0548 .008 |
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O7 .211 .616 .1395 .015 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure
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