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Kimzeyite |
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Munno R, Rossi G, Tadini C |
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American Mineralogist 65 (1980) 188-191 |
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Crystal chemistry of kimzeyite from Stomboli, Aeolian Islands, Italy |
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_database_code_amcsd 0000775 |
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12.365 12.365 12.365 90 90 90 Ia-3d |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca1 .125 0 .25 .980 .00063 .00063 .00164 0.00062 0 0 |
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Mg1 .125 0 .25 .020 .00063 .00063 .00164 0.00062 0 0 |
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Mg2 0 0 0 .160 .00107 .00107 .00107 0.00002 .00002 .00002 |
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Zr2 0 0 0 .605 .00107 .00107 .00107 0.00002 .00002 .00002 |
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Ti2 0 0 0 .235 .00107 .00107 .00107 0.00002 .00002 .00002 |
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Si .375 0 .25 .503 .00105 .00128 .00128 0 0 0 |
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Al .375 0 .25 .333 .00105 .00128 .00128 0 0 0 |
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Fe .375 0 .25 .164 .00105 .00128 .00128 0 0 0 |
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O .0365 .0497 .6543 .00211 .00152 .00110 -.00038 .00025 .00006 |
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Calciobetafite |
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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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_database_code_amcsd 0000891 |
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10.2978 10.2978 10.2978 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca 0 0 0 .685 .00181 .00181 .00181 -.00013 -.00013 -.00013 |
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Na 0 0 0 .076 .00181 .00181 .00181 -.00013 -.00013 -.00013 |
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Th 0 0 0 .039 .00181 .00181 .00181 -.00013 -.00013 -.00013 |
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U 0 0 0 .039 .00181 .00181 .00181 -.00013 -.00013 -.00013 |
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Ce 0 0 0 .161 .00181 .00181 .00181 -.00013 -.00013 -.00013 |
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Ti .5 .5 .5 .535 .00222 .00222 .00222 -.00058 -.00058 -.00058 |
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Nb .5 .5 .5 .446 .00222 .00222 .00222 -.00058 -.00058 -.00058 |
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Ta .5 .5 .5 .019 .00222 .00222 .00222 -.00058 -.00058 -.00058 |
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O1 -.1771 .125 .125 .00256 .00179 .00179 0 0 .00093 |
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O2 .125 .125 .125 .5 .00416 .00416 .00416 0 0 0 |
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F .125 .125 .125 .5 .00416 .00416 .00416 0 0 0 |
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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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_database_code_amcsd 0000892 |
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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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Zirkelite |
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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: B(2,3) for Ti61 has been changed to satisfy symmetry constraints |
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_database_code_amcsd 0000893 |
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7.287 7.287 16.886 90 90 120 P3_121 |
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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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Ca81 .8324 0 1/3 .590 0.0038 0.0030 0.0017 0.0015 -.0003 -.0006 |
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Na81 .8324 0 1/3 .060 0.0038 0.0030 0.0017 0.0015 -.0003 -.0006 |
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Th81 .8324 0 1/3 .015 0.0038 0.0030 0.0017 0.0015 -.0003 -.0006 |
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Ce81 .8324 0 1/3 .345 0.0038 0.0030 0.0017 0.0015 -.0003 -.0006 |
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Ca82 .3295 0 1/3 .25 0.0016 0.0064 0.0016 0.0032 0.0002 0.0004 |
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Na82 .3295 0 1/3 .25 0.0016 0.0064 0.0016 0.0032 0.0002 0.0004 |
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Th82 .3295 0 1/3 .25 0.0016 0.0064 0.0016 0.0032 0.0002 0.0004 |
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Ce82 .3295 0 1/3 .25 0.0016 0.0064 0.0016 0.0032 0.0002 0.0004 |
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Zr7 .1653 .6676 .0166 0.0035 0.0042 0.0010 0.0020 -.0006 -.0004 |
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Ti61 .333 0 5/6 .780 0.0076 0.0086 0.0006 0.0043 -.0011 -.0022 |
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Nb61 .333 0 5/6 .214 0.0076 0.0086 0.0006 0.0043 -.0011 -.0022 |
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Ta61 .333 0 5/6 .006 0.0076 0.0086 0.0006 0.0043 -.0011 -.0022 |
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Ti62 .497 .334 .1640 .690 0.0048 0.0045 0.0005 0.0021 0.0009 0.0003 |
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Nb62 .497 .334 .1640 .155 0.0048 0.0045 0.0005 0.0021 0.0009 0.0003 |
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Ta62 .497 .334 .1640 .155 0.0048 0.0045 0.0005 0.0021 0.0009 0.0003 |
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Fe5 .044 .894 .169 .5 0.0267 0.0334 0.0001 0.0179 -.0016 -.0017 |
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O1 .595 .634 .1428 1.0 |
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O2 .010 .820 .0579 0.7 |
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O3 .527 .314 .0488 1.5 |
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O4 .202 .227 .1442 1.4 |
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O5 .532 .890 .0536 1.2 |
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O6 .947 .312 .0540 0.7 |
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O7 .207 .616 .1425 1.2 |
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