|
Metaschoepite |
 |
Klingensmith A L, Deely K M, Kinman W S, Kelly V, Burns P C |
| |
American Mineralogist 92 (2007) 662-669 |
|
Neptunium incorporation in sodium-substituted metaschoepite |
|
Locality: Katanga, Congo |
|
Sample: Natural |
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_database_code_amcsd 0004315 |
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14.6801 14.0287 16.7196 90 90 90 Pbcn |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na21 .503 .672 .295 .24 .040 |
|
U1 .23381 .74397 .37478 .01545 .0264 .00816 .0118 -.00032 .0002 -.00215 |
|
U2 .28634 .76845 .60325 .01605 .0315 .00797 .00865 .0026 -.0018 -.00103 |
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U3 .25577 .51214 .23933 .01607 .0328 .0084 .00695 .0007 -.0014 .00036 |
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U4 .25591 .51731 .51083 .01707 .0316 .00946 .0101 -.0007 .0015 .00165 |
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O1 .1748 .7406 .6145 .035 |
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O2 .1475 .4622 .2320 .032 |
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O3 .1206 .7443 .4156 .026 |
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O4 .4098 .7847 .5967 .019 |
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O5 .3678 .5610 .2511 .024 |
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O6 .1391 .5483 .5295 .021 |
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O7 .3420 .7440 .3315 .028 |
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O8 .3699 .4841 .4895 .026 |
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O9 .2517 .9229 .6173 .0184 |
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OH10 .2082 .3619 .4680 .020 |
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OH11 .2928 .6751 .4885 .028 |
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OH12 .2144 .5628 .3722 .0140 |
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OH13 .3117 .6015 .6385 .017 |
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OH14 .1883 .6854 .2439 .0148 |
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OH15 .1894 .8851 .3128 .016 |
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Wat16A 0 .7528 .25 .59 .040 |
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Wat16B 0 .659 .25 .47 .040 |
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Wat17 .4994 .4181 .1441 .78 .040 |
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Wat18 -.0195 .6443 .5691 .94 .040 |
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Wat19 .0268 .5492 .3679 .81 .040 |
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Wat20 .4972 .6469 .4223 .63 .040 |
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Wat22 .5 .794 .25 .53 .040 |
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|
| |
|
Metaschoepite |
|
Klingensmith A L, Deely K M, Kinman W S, Kelly V, Burns P C |
| |
American Mineralogist 92 (2007) 662-669 |
|
Neptunium incorporation in sodium-substituted metaschoepite |
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Locality: synthetic |
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Sample: Na-Ms-CRY |
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_database_code_amcsd 0004316 |
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14.7050 14.0565 16.7051 90 90 90 Pbcn |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na21 .5025 .6593 .2756 .545 .040 |
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U1 .23566 .739966 .382441 .01284 .02174 .00874 .00805 -.00061 -.00010 .00018 |
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U2 .27743 .764029 .610028 .01368 .02134 .00830 .01139 .00077 -.00230 -.00190 |
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U3 .25494 .515225 .242744 .01410 .02619 .00854 .00757 -.00025 -.00077 -.00003 |
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U4 .25380 .517051 .515841 .01329 .02316 .00811 .00860 .00063 .00093 .00093 |
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O1 .1613 .7403 .6273 .0321 .034 .022 .040 .000 .001 -.009 |
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O2 .1407 .4769 .2292 .0305 .033 .039 .019 -.005 .001 -.005 |
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O3 .1205 .7514 .4139 .0245 .019 .019 .036 .000 .003 .000 |
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O4 .3964 .7804 .6015 .0183 .026 .018 .010 -.002 .000 -.004 |
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O5 .3692 .5517 .2597 .0253 .030 .022 .024 .003 .000 -.004 |
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O6 .1372 .5388 .5383 .0206 .020 .024 .018 .001 .006 .001 |
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O7 .3487 .7302 .3468 .0255 .024 .026 .027 -.007 .002 -.011 |
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O8 .3694 .4935 .4890 .0292 .030 .029 .028 .003 .006 .009 |
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O9 .2419 .9185 .6219 .0217 .046 .012 .007 .006 -.003 .0004 |
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OH10 .2113 .3613 .4716 .0172 .034 .008 .009 .001 -.001 -.0002 |
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O11 .2737 .6741 .4984 .0245 .049 .017 .008 -.004 -.011 -.001 |
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OH12 .2116 .5622 .3781 .0151 .030 .009 .006 .003 -.003 -.0011 |
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OH13 .3086 .6001 .6456 .0152 .030 .009 .007 .000 .000 -.0002 |
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OH14 .1936 .6859 .2487 .0153 .030 .011 .005 -.001 .000 .000 |
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OH15 .2137 .8797 .3136 .0137 |
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Wat16A 0 .723 .25 .39 .040 |
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Wat16B 0 .681 .25 .46 .040 |
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Wat17 .4924 .4026 .1551 .785 .040 |
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Wat18 -.0195 .6642 .5530 .967 .040 |
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Wat19 .0272 .5486 .3775 .926 .040 |
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Wat20 .5067 .6224 .4010 .674 .040 |
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Wat22 .5 .8186 .25 .774 .040 |
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| |
|
Metaschoepite |
|
Klingensmith A L, Deely K M, Kinman W S, Kelly V, Burns P C |
| |
American Mineralogist 92 (2007) 662-669 |
|
Neptunium incorporation in sodium-substituted metaschoepite |
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Locality: synthetic |
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Sample: Na-Ms-CRY-Np |
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_database_code_amcsd 0004317 |
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14.6401 14.0417 16.7044 90 90 90 Pbcn |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na21 .5011 .6628 .2840 .61 .040 |
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U1 .23574 .74017 .38168 .01470 .0240 .0097 .0104 -.0011 .0006 .0000 |
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U2 .27735 .76422 .60929 .01475 .0239 .0086 .0117 .0005 -.0023 -.0017 |
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U3 .25531 .51527 .24250 .01534 .0282 .0087 .0092 -.0003 -.0008 -.0006 |
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U4 .25387 .51696 .51512 .01435 .0250 .0083 .0097 .0004 .0005 .0010 |
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O1 .1684 .7423 .6263 .030 .045 .001 .043 .010 .005 -.001 |
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O2 .1449 .4774 .2305 .032 .040 .046 .009 .005 .007 -.012 |
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O3 .1203 .7522 .4109 .029 .023 .029 .034 .013 -.013 .003 |
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O4 .3960 .7779 .6012 .029 .033 .032 .021 .004 -.011 -.003 |
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O5 .3693 .5483 .2620 .024 .017 .027 .027 .000 -.012 -.017 |
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O6 .1368 .5341 .5368 .021 .012 .026 .026 .003 -.010 .009 |
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O7 .3473 .7327 .3479 .019 .006 .026 .024 -.001 -.003 -.009 |
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O8 .3666 .4960 .4876 .028 .037 .024 .022 .001 -.003 .007 |
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O9 .2417 .9217 .6212 .0124 |
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OH10 .2137 .3604 .4705 .013 |
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O11 .2730 .6734 .4989 .018 |
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OH12 .2141 .5627 .3763 .016 |
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OH13 .3057 .6004 .6460 .013 |
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OH14 .1921 .6845 .2491 .017 |
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OH15 .2108 .8792 .3133 .015 |
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Wat16A 0 .738 .25 .33 .040 |
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Wat16B 0 .683 .25 .60 .040 |
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Wat17 .4953 .4039 .1489 .98 .040 |
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Wat18 -.0163 .6641 .5496 .040 |
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Wat19 .0233 .5480 .3758 .98 .040 |
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Wat20 .5061 .6206 .4020 .70 .040 |
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Wat22 .5 .8198 .25 .84 .040 |
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|
| Download AMC data (View Text File)
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|
| |
|
Metaschoepite |
|
Klingensmith A L, Deely K M, Kinman W S, Kelly V, Burns P C |
| |
American Mineralogist 92 (2007) 662-669 |
|
Neptunium incorporation in sodium-substituted metaschoepite |
|
Locality: synthetic |
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Sample: Na-Ms-AB1 |
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_database_code_amcsd 0004318 |
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14.6317 14.0147 16.6977 90 90 90 Pbcn |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na21 .5064 .6764 .2832 .58 .040 |
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U1 .23479 .74265 .37739 .01824 .0275 .0125 .0147 .0005 .0000 -.0019 |
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U2 .28370 .76835 .60448 .01861 .0327 .0126 .0105 .0020 -.0017 -.0018 |
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U3 .25685 .51221 .24135 .01698 .0310 .0123 .0077 .0008 -.0012 .0001 |
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U4 .25692 .51835 .51248 .02172 .0353 .0144 .0155 -.0006 .0005 .0009 |
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O1 .1700 .7462 .6131 .042 .061 .021 .044 .006 -.026 -.010 |
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O2 .1506 .4654 .2326 .037 .078 .014 .019 .016 -.016 -.009 |
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O3 .1206 .7424 .4156 .024 .026 .022 .025 -.002 .014 .013 |
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O4 .4025 .7837 .5983 .021 .043 .009 .010 .003 .001 .003 |
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O5 .3715 .5586 .2508 .027 .017 .028 .034 -.013 .009 -.002 |
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O6 .1415 .5477 .5317 .035 .034 .028 .044 .002 -.029 .018 |
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O7 .3449 .7419 .3368 .024 .025 .025 .023 .000 -.010 -.013 |
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O8 .3670 .4875 .4898 .049 .102 .030 .013 .000 .004 .002 |
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O9 .2491 .9237 .6195 .033 .069 .024 .006 -.001 .002 .005 |
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OH10 .2085 .3638 .4705 .023 .034 .011 .023 .001 .000 -.005 |
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OH11 .2903 .6729 .4909 .042 .092 .016 .018 -.005 -.005 .004 |
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OH12 .2147 .5635 .3747 .021 .043 .009 .011 -.001 -.001 .001 |
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OH13 .3121 .6030 .6412 .020 .039 .008 .012 -.003 .000 .001 |
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OH14 .1893 .6840 .2449 .018 .017 .018 .019 -.004 -.002 .006 |
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OH15 .1907 .8840 .3156 .022 |
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Wat16A 0 .755 .25 .26 .040 |
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Wat16B 0 .662 .25 .74 .040 |
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Wat17 .5008 .4049 .1450 .75 .040 |
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Wat18 -.0183 .6485 .5637 .87 .040 |
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Wat19 .0264 .5449 .3768 .89 .040 |
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Wat20 .4983 .6369 .4152 .61 .040 |
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Wat22 .5 .817 .25 .66 .040 |
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|
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View JMOL 3-D Structure
|
| |
|
Metaschoepite |
|
Klingensmith A L, Deely K M, Kinman W S, Kelly V, Burns P C |
| |
American Mineralogist 92 (2007) 662-669 |
|
Neptunium incorporation in sodium-substituted metaschoepite |
|
Locality: synthetic |
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Sample: Na-Ms-AB2 |
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_database_code_amcsd 0004319 |
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14.6592 14.0358 16.7148 90 90 90 Pbcn |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na21 .510 .684 .276 .235 .040 |
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U1 .23414 .74380 .374763 .01425 .0197 .01137 .01163 -.00003 -.00099 -.00143 |
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U2 .28636 .76851 .60317 .01568 .0250 .01074 .01126 .00214 -.00102 -.00153 |
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U3 .25637 .51220 .239215 .01576 .0276 .01094 .00872 .00096 -.00104 .00007 |
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U4 .25652 .51717 .51109 .01603 .0249 .01192 .01126 -.00124 .00134 .00111 |
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O1 .1683 .7458 .6126 .032 .031 .015 .049 -.001 -.011 -.002 |
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O2 .1452 .4616 .2319 .0290 .035 .031 .021 .003 -.004 -.004 |
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O3 .1225 .7450 .4163 .0202 .017 .021 .022 .000 .005 .005 |
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O4 .4057 .7845 .5964 .0194 .020 .015 .023 -.004 .000 .003 |
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O5 .3699 .5601 .2511 .0228 .031 .013 .025 -.003 -.004 .000 |
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O6 .1407 .5489 .5293 .0266 .027 .027 .026 .000 .003 -.006 |
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O7 .3449 .7463 .3310 .0261 .020 .031 .027 .001 .002 -.012 |
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O8 .3721 .4840 .4895 .0293 .022 .041 .026 .005 -.002 .003 |
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O9 .2524 .9225 .6175 .029 .063 .010 .013 .005 .003 -.001 |
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OH10 .2053 .3617 .4685 .0187 .037 .007 .012 .003 .007 .002 |
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OH11 .2966 .6736 .4881 .040 .091 .016 .012 -.008 -.026 .003 |
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OH12 .2123 .5634 .3726 .0179 .035 .012 .007 .008 .002 .002 |
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OH13 .3123 .6005 .6387 .0168 .030 .009 .011 -.004 -.001 .001 |
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OH14 .1869 .6830 .2435 .0169 .022 .016 .012 -.007 -.001 -.001 |
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OH15 .1880 .8848 .3135 .0180 |
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Wat16A 0 .751 .25 .380 .040 |
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Wat16B 0 .6543 .25 .48 .040 |
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Wat17 .5004 .4164 .1427 .681 .040 |
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Wat18 -.0234 .6449 .5705 .801 .040 |
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Wat19 .0294 .5496 .3701 .777 .040 |
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Wat20 .4959 .6404 .4199 .597 .040 |
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Wat22 .5 .8089 .25 .51 .040 |
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|
| Download AMC data (View Text File)
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|
| |
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Uranospathite |
|
Locock A J, Kinman W S, Burns P C |
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The Canadian Mineralogist 43 (2005) 989-1003 |
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The structure and composition of uranospathite, |
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Al1-xVacancyx[(UO2)(PO4)]2(H2O)20+3xF1-3x, x = 0 - 0.33, |
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a non-centrosymmetric fluorine-bearing mineral of the autunite group, |
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and of a related synthetic lower hydrate, |
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Al0.67Vacancy0.33[(UO2)(PO4)]2(H2O)15.5 |
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Locality: Venachat, Haute-Vienne, France |
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_database_code_amcsd 0006021 |
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30.020 7.0084 7.0492 90 90 90 Pnn2 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al1 0 0.5 .9578 .86 .017 .019 .015 .018 -.001 0 0 |
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U1 .2214 .2543 .2477 .014 .017 .012 .012 .000 -.002 -.001 |
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P1 .2505 .7546 .2465 .016 .022 .013 .012 -.004 -.010 -.002 |
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O1 .2806 .2563 .2356 .020 |
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O2 .1621 .2547 .2595 .019 |
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O3 .2194 .5794 .2736 .016 |
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O4 .2776 .7790 .4233 .011 |
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O5 .2199 .9266 .2179 .021 |
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O6 .2839 .7241 .0780 .020 |
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O7 .9733 .3410 .7789 .038 |
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O8 .9811 .3281 .1446 .036 |
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O9 .0544 .3508 .9487 .042 |
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O10 .1376 .4784 .8421 .039 |
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O11 .1401 .0245 .6477 .035 |
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O12 .1409 .6660 .4836 .039 |
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O13 .1416 .8489 .0104 .032 |
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O14 .0617 .0000 .1109 .036 |
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O15 .0611 .5307 .4536 .038 |
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O16 .0657 .1452 .4750 .036 |
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O17 0 0 .6714 .032 |
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|
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View JMOL 3-D Structure
|
| |
|
Al0.67[(UO2)(PO4)]2(H2O)15.5 |
| |
Locock A J, Kinman W S, Burns P C |
|
The Canadian Mineralogist 43 (2005) 989-1003 |
|
The structure and composition of uranospathite, |
|
Al1-xVacancyx[(UO2)(PO4)]2(H2O)20+3xF1-3x, x = 0 - 0.33, |
|
a non-centrosymmetric fluorine-bearing mineral of the autunite group, |
|
and of a related synthetic lower hydrate, |
|
Al0.67Vacancy0.33[(UO2)(PO4)]2(H2O)15.5 |
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Sample: AlUP |
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_database_code_amcsd 0006022 |
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7.0020 13.7120 14.0243 78.418 89.676 81.863 P-1 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al1 -.4863 -.0095 .2504 .67 .041 |
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U1 .2336 .5639 .3622 .016 .012 .028 .009 -.004 .004 -.007 |
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U2 -.2328 .4367 .1379 .013 .010 .016 .011 -.001 -.001 -.002 |
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P1 -.2494 .4993 .3734 .020 .012 .042 .008 -.005 .001 -.009 |
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P2 .2486 .5014 .1230 .014 .012 .016 .012 -.001 .002 -.002 |
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O1 -.1931 .4336 .4745 .027 |
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O2 .2100 .5721 .0228 .015 |
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O3 .0981 .4250 .1550 .026 |
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O4 -.4380 .5681 .3736 .034 |
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O5 .2680 .5606 .2010 .023 |
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O6 .4450 .4339 .1218 .012 |
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O7 -.2484 .4229 .3031 .017 |
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O8 -.0899 .5623 .3506 .018 |
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O9 .2770 .4306 .3863 .027 |
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O10 -.2632 .5706 .1106 .024 |
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O11 .1978 .6940 .3420 .030 |
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O12 -.1959 .3003 .1689 .021 |
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O13 .4229 .2505 .0599 .023 |
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O14 -.0421 .7524 .0327 .046 |
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O15 .0555 .2492 .4775 .044 |
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O16 -.2250 .7328 .2242 .091 |
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O17 .2196 .2456 .2936 .026 |
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O18 .3976 .7529 .1197 .050 |
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O19 -.4170 .2337 .3781 .053 |
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O20 -.0233 .0837 .1049 .047 |
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O21 .3870 .2610 .5572 .091 |
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O22 -.0050 .0521 .5108 .5 .037 |
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O23 -.3520 .0843 .1698 .096 |
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O24 -.5150 -.0511 .1266 .096 |
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O25 -.2390 -.0868 .2475 .096 |
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O26 -.4040 .0498 .3576 .096 |
|
O27 -.5870 -.1166 .3278 .096 |
|
O28 -.7280 .0727 .2280 .096 |
|
|
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View JMOL 3-D Structure
|
| |
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