|
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 |
|
_database_code_amcsd 0004315 |
|
14.6801 14.0287 16.7196 90 90 90 Pbcn |
|
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 |
|
U3 .25577 .51214 .23933 .01607 .0328 .0084 .00695 .0007 -.0014 .00036 |
|
U4 .25591 .51731 .51083 .01707 .0316 .00946 .0101 -.0007 .0015 .00165 |
|
O1 .1748 .7406 .6145 .035 |
|
O2 .1475 .4622 .2320 .032 |
|
O3 .1206 .7443 .4156 .026 |
|
O4 .4098 .7847 .5967 .019 |
|
O5 .3678 .5610 .2511 .024 |
|
O6 .1391 .5483 .5295 .021 |
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O7 .3420 .7440 .3315 .028 |
|
O8 .3699 .4841 .4895 .026 |
|
O9 .2517 .9229 .6173 .0184 |
|
OH10 .2082 .3619 .4680 .020 |
|
OH11 .2928 .6751 .4885 .028 |
|
OH12 .2144 .5628 .3722 .0140 |
|
OH13 .3117 .6015 .6385 .017 |
|
OH14 .1883 .6854 .2439 .0148 |
|
OH15 .1894 .8851 .3128 .016 |
|
Wat16A 0 .7528 .25 .59 .040 |
|
Wat16B 0 .659 .25 .47 .040 |
|
Wat17 .4994 .4181 .1441 .78 .040 |
|
Wat18 -.0195 .6443 .5691 .94 .040 |
|
Wat19 .0268 .5492 .3679 .81 .040 |
|
Wat20 .4972 .6469 .4223 .63 .040 |
|
Wat22 .5 .794 .25 .53 .040 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
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 |
|
Sample: Na-Ms-CRY |
|
_database_code_amcsd 0004316 |
|
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) |
|
Na21 .5025 .6593 .2756 .545 .040 |
|
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 |
|
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 |
|
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 |
|
OH14 .1936 .6859 .2487 .0153 .030 .011 .005 -.001 .000 .000 |
|
OH15 .2137 .8797 .3136 .0137 |
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Wat16A 0 .723 .25 .39 .040 |
|
Wat16B 0 .681 .25 .46 .040 |
|
Wat17 .4924 .4026 .1551 .785 .040 |
|
Wat18 -.0195 .6642 .5530 .967 .040 |
|
Wat19 .0272 .5486 .3775 .926 .040 |
|
Wat20 .5067 .6224 .4010 .674 .040 |
|
Wat22 .5 .8186 .25 .774 .040 |
|
|
| Download AMC data (View Text File)
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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 |
|
Sample: Na-Ms-CRY-Np |
|
_database_code_amcsd 0004317 |
|
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) |
|
Na21 .5011 .6628 .2840 .61 .040 |
|
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 |
|
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 |
|
O1 .1684 .7423 .6263 .030 .045 .001 .043 .010 .005 -.001 |
|
O2 .1449 .4774 .2305 .032 .040 .046 .009 .005 .007 -.012 |
|
O3 .1203 .7522 .4109 .029 .023 .029 .034 .013 -.013 .003 |
|
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 |
|
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 |
|
Wat16B 0 .683 .25 .60 .040 |
|
Wat17 .4953 .4039 .1489 .98 .040 |
|
Wat18 -.0163 .6641 .5496 .040 |
|
Wat19 .0233 .5480 .3758 .98 .040 |
|
Wat20 .5061 .6206 .4020 .70 .040 |
|
Wat22 .5 .8198 .25 .84 .040 |
|
|
| Download AMC data (View Text File)
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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 |
|
Sample: Na-Ms-AB1 |
|
_database_code_amcsd 0004318 |
|
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) |
|
Na21 .5064 .6764 .2832 .58 .040 |
|
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 |
|
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 |
|
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 |
|
O6 .1415 .5477 .5317 .035 .034 .028 .044 .002 -.029 .018 |
|
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 |
|
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 |
|
OH15 .1907 .8840 .3156 .022 |
|
Wat16A 0 .755 .25 .26 .040 |
|
Wat16B 0 .662 .25 .74 .040 |
|
Wat17 .5008 .4049 .1450 .75 .040 |
|
Wat18 -.0183 .6485 .5637 .87 .040 |
|
Wat19 .0264 .5449 .3768 .89 .040 |
|
Wat20 .4983 .6369 .4152 .61 .040 |
|
Wat22 .5 .817 .25 .66 .040 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
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 |
|
Sample: Na-Ms-AB2 |
|
_database_code_amcsd 0004319 |
|
14.6592 14.0358 16.7148 90 90 90 Pbcn |
|
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 .510 .684 .276 .235 .040 |
|
U1 .23414 .74380 .374763 .01425 .0197 .01137 .01163 -.00003 -.00099 -.00143 |
|
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 |
|
O2 .1452 .4616 .2319 .0290 .035 .031 .021 .003 -.004 -.004 |
|
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 |
|
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 |
|
O7 .3449 .7463 .3310 .0261 .020 .031 .027 .001 .002 -.012 |
|
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 |
|
OH14 .1869 .6830 .2435 .0169 .022 .016 .012 -.007 -.001 -.001 |
|
OH15 .1880 .8848 .3135 .0180 |
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Wat16A 0 .751 .25 .380 .040 |
|
Wat16B 0 .6543 .25 .48 .040 |
|
Wat17 .5004 .4164 .1427 .681 .040 |
|
Wat18 -.0234 .6449 .5705 .801 .040 |
|
Wat19 .0294 .5496 .3701 .777 .040 |
|
Wat20 .4959 .6404 .4199 .597 .040 |
|
Wat22 .5 .8089 .25 .51 .040 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Na[(UO2)4O2(OH)5](H2O)2 |
| |
Burns P C, Deely K M |
 |
The Canadian Mineralogist 40 (2002) 1579-1586 |
|
A topologically novel sheet of uranyl pentagonal bipyramids |
|
in the structure of Na[(UO2)4O2(OH)5](H2O)2 |
|
_database_code_amcsd 0005795 |
|
8.0746 8.4633 11.2191 80.398 87.492 71.308 P-1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na(1) .4220 .9835 .1418 .028 .021 .029 .034 -.001 -.005 -.011 |
|
U(1) .9616 .8725 .1450 .011 .015 .010 .010 -.003 .004 -.002 |
|
U(2) .6822 .6054 .4211 .012 .013 .011 .011 -.003 .002 -.003 |
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U(3) .6741 .0695 .4169 .011 .013 .012 .011 -.005 .003 -.003 |
|
U(4) .9414 .3401 .1365 .011 .014 .009 .011 -.003 .004 -.003 |
|
O(1) .8098 .0313 .5488 .025 |
|
O(2) .7466 .8969 .0941 .022 |
|
O(3) .8151 .5090 .5537 .019 |
|
O(4) .1682 .2344 .1565 .023 |
|
O(5) .1780 .8387 .1955 .018 |
|
O(6) .7079 .4508 .1091 .020 |
|
O(7) .5562 .6982 .2796 .025 |
|
O(8) .5559 .1065 .2702 .023 |
|
O(9) .9207 .1362 .0436 .018 |
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O(10) .5823 .8508 .4847 .021 |
|
OH(11) .0351 .5887 .0874 .017 |
|
OH(12) .5669 .3783 .4201 .015 |
|
OH(13) .9045 .1086 .2826 .013 |
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OH(14) .9155 .4389 .3138 .020 |
|
OH(15) .8736 .7839 .3473 .013 |
|
Wat(16) .4816 .7854 .0005 .028 |
|
Wat(17) .3677 .4705 .1890 .027 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zippeite |
|
Burns P C, Deely K M, Hayden L A |
|
The Canadian Mineralogist 41 (2003) 687-706 |
|
The crystal chemistry of the zippeite group |
|
_database_code_amcsd 0005847 |
|
8.7524 13.9197 17.6972 90 104.178 90 C2 |
|
atom x y z occ Uiso |
|
U(1) .9214 .2948 .0865 .020 |
|
U(2) .5874 .3261 -.0871 .018 |
|
U(3) -.0782 .3345 -.4132 .013 |
|
U(4) -.4120 .3028 -.5868 .014 |
|
S(1) .2494 .3099 -.2488 .020 |
|
S(2) -.7500 .3230 -.7491 .016 |
|
K(1) .3091 .5603 -.0830 .39 .063 |
|
K(1A) .2957 .5583 -.1366 .52 .035 |
|
K(2) .1985 .5689 -.3673 .70 .049 |
|
K(2A) .1852 .5686 -.4274 .30 .028 |
|
K(3) .6781 .0586 .1270 .33 .029 |
|
K(3A) .6138 .0628 .0442 .47 .106 |
|
O(1) -.8216 .3818 -.7007 .022 |
|
O(2) -.6749 .3819 -.7981 .020 |
|
O(3) .3662 .3742 -.1956 .021 |
|
O(4) .1382 .3781 -.2990 .018 |
|
O(5) -.8684 .2635 -.7974 .021 |
|
O(6) .3205 .2453 -.2995 .023 |
|
O(7) .1742 .2406 -.2021 .021 |
|
O(8) .8498 .3066 -.0444 .014 |
|
O(9) -.6282 .2652 -.6978 .021 |
|
O(10) .9157 .4190 .1107 .029 |
|
O(11) -.1442 .2958 -.5441 .016 |
|
O(12) .5819 .4533 -.0655 .023 |
|
O(13) -.3534 .3199 -.4559 .012 |
|
O(14) .5840 .2016 -.1150 .031 |
|
O(15) -.0818 .2104 -.3892 .024 |
|
O(16) -.4171 .4253 -.6171 .030 |
|
O(17) .9152 .1707 .0676 .030 |
|
OH(18) .6447 .2730 .0469 .021 |
|
O(19) -.4073 .1831 -.5610 .025 |
|
O(20) -.0642 .4614 -.4287 .022 |
|
Wat(21) -.1515 .0604 -.5940 .061 |
|
Wat(22) .5217 .5611 -.2500 .090 |
|
Wat(23) .0246 .5619 -.2549 .049 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zippeite |
|
Burns P C, Deely K M, Hayden L A |
|
The Canadian Mineralogist 41 (2003) 687-706 |
|
The crystal chemistry of the zippeite group |
|
Sample : Sodium-zippeite |
|
_database_code_amcsd 0005848 |
|
17.6425 14.6272 17.6922 90 104.461 90 P2_1/n |
|
atom x y z Uiso |
|
U(1) .3384 .2323 .8377 .010 |
|
U(2) .2603 .2250 .0096 .011 |
|
U(3) .5845 .2563 .8347 .010 |
|
U(4) .4991 .2649 .0090 .012 |
|
U(5) .8257 .2186 .8326 .013 |
|
U(6) .7569 .2168 .0078 .011 |
|
U(7) .9965 .2462 .0091 .011 |
|
U(8) .0942 .2516 .8329 .011 |
|
S(1) .9213 .2450 .1710 .008 |
|
S(2) .6668 .2487 .6713 .015 |
|
S(3) .1714 .2458 .6728 .013 |
|
S(4) .4235 .2604 .1748 .018 |
|
Na(1) .1795 .0228 .6734 .036 |
|
Na(2) .9192 .0301 .1916 .032 |
|
Na(3) .6705 .0145 .6745 .048 |
|
Na(4) .2360 .5004 .9907 .046 |
|
Na(5) .5668 -.0291 .8133 .043 |
|
O(1) .7185 .2377 .8768 .013 |
|
O(2) .2214 .2414 .8779 .015 |
|
O(3) .5954 .3747 .8692 .018 |
|
O(4) .8686 .2377 .9643 .022 |
|
O(5) .8847 .3117 .2154 .020 |
|
O(6) .2309 .1871 .7202 .019 |
|
O(7) .2080 .3149 .6278 .018 |
|
O(8) .1337 .3037 .7213 .018 |
|
O(9) .8624 .1848 .1255 .018 |
|
O(10) .4729 .2450 .8799 .013 |
|
O(11) .3696 .2623 .9683 .017 |
|
O(12) .7085 .3147 .6280 .019 |
|
O(13) .3322 .3496 .8121 .021 |
|
O(14) .7216 .1851 .7140 .018 |
|
O(15) .0930 .3690 .8667 .019 |
|
O(16) .3818 .3255 .2160 .018 |
|
O(17) .4992 .1524 .0407 .020 |
|
O(18) .6358 .3083 .7252 .021 |
|
O(19) .4799 .2056 .2320 .022 |
|
O(20) .9539 .3039 .1201 .018 |
|
O(21) .9804 .1908 .2249 .020 |
|
O(22) .3661 .2008 .1288 .020 |
|
O(23) .1148 .1929 .6148 .019 |
|
O(24) .7546 .0975 .9966 .019 |
|
O(25) .4589 .3169 .1254 .027 |
|
O(26) .9956 .3654 .9767 .022 |
|
O(27) .5049 .3870 .9916 .015 |
|
O(28) .2428 .3411 .0265 .017 |
|
O(29) .6054 .2019 .6121 .024 |
|
O(30) .2683 .1061 .9993 .020 |
|
O(31) .0030 .1325 .0427 .027 |
|
O(32) .8352 .3363 .8148 .024 |
|
O(33) .3437 .1129 .8528 .023 |
|
O(34) .5723 .1437 .7954 .024 |
|
O(35) .8250 .0989 .8445 .021 |
|
O(36) .7528 .3328 .0271 .030 |
|
O(37) .0887 .1392 .7969 .016 |
|
OH(1) .6162 .2071 .9681 .012 |
|
OH(2) .1173 .2052 .9675 .010 |
|
OH(3) .9711 .2025 .8742 .015 |
|
Wat(1) .7841 .0122 .1888 .031 |
|
Wat(2) .0414 .0053 .6702 .027 |
|
Wat(3) .6972 -.0229 .8079 .036 |
|
Wat(4) .5305 .0063 .6683 .031 |
|
Wat(5) .0480 .0022 .1788 .051 |
|
Wat(6) .1412 -.0129 .5355 .038 |
|
Wat(7) .1204 .5020 .0309 .034 |
|
Wat(8) .5990 .0173 .9523 .042 |
|
Wat(9) .3089 .0227 .6512 .033 |
|
Wat(10) .8885 -.0189 .0471 .033 |
|
Wat(11) .7943 .0069 .6457 .041 |
|
Wat(12) .4353 -.0215 .8036 .043 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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Zippeite |
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Burns P C, Deely K M, Hayden L A |
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The Canadian Mineralogist 41 (2003) 687-706 |
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The crystal chemistry of the zippeite group |
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Sample: SZIPPNH4I |
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_database_code_amcsd 0005849 |
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8.6987 14.166 17.847 90 104.117 90 C2/m |
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atom x y z Uiso |
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U(1) .6663 .2319 .3347 .011 |
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U(2) .3339 .2681 .1654 .011 |
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S(1) 0 .2549 0 .020 |
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S(2) 0 .2361 1/2 .007 |
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NH4(1) .7250 1/2 .5051 .029 |
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NH4(2) .3040 0 .0118 .026 |
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NH4(3) .5490 0 .1598 .036 |
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NH4(4) .4490 1/2 .3265 .022 |
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O(1) -.1139 .1755 .4461 .012 |
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O(2) -.1234 .3177 -.0481 .024 |
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O(3) .4020 .2433 .2947 .018 |
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O(4) -.0690 .1929 .0488 .021 |
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O(5) -.0771 .2973 .5474 .015 |
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O(6) .6000 .2395 .2053 .008 |
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O(7) .6560 .1050 .3197 .021 |
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O(8) .3530 .3950 .1786 .019 |
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O(9) .3090 .1461 .1381 .021 |
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O(10) .6830 .3549 .3581 .021 |
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Wat(11) .9370 1/2 .4011 .033 |
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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
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| |
|
Zippeite |
|
Burns P C, Deely K M, Hayden L A |
|
The Canadian Mineralogist 41 (2003) 687-706 |
|
The crystal chemistry of the zippeite group |
|
Sample: SZIPPNH4II |
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_database_code_amcsd 0005850 |
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14.2520 8.7748 17.1863 90 90 90 Cmca |
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atom x y z Uiso |
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U(1) .2325 .1268 .4138 .014 |
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S(1) 1/4 .3812 1/4 .021 |
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O(1) .2434 .3756 .4552 .037 |
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O(2) .3086 .4696 .3003 .032 |
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O(3) .1868 .2814 .2993 .020 |
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O(4) .1070 .1244 .4313 .029 |
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O(5) .3527 .1286 .3862 .035 |
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NH4(1) 0 .1350 .2504 .091 |
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NH4(2) 0 -.1650 .4030 .119 |
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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
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| |
|
Zippeite |
|
Burns P C, Deely K M, Hayden L A |
|
The Canadian Mineralogist 41 (2003) 687-706 |
|
The crystal chemistry of the zippeite group |
|
Sample: Magnesium-zippeite |
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_database_code_amcsd 0005851 |
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8.6514 14.1939 17.7211 90 104.131 90 C2/m |
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atom x y z Uiso |
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U(1) .6671 .2324 .3349 .009 |
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U(2) .3329 .2674 .1651 .010 |
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S(1) 0 .2600 0 .006 |
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S(2) 0 .2552 1/2 .011 |
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Mg(1) .6898 1/2 .3783 .027 |
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Mg(2) .3070 0 .1290 .019 |
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O(1) .8791 .1883 .4509 .020 |
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O(2) -.1198 .3168 -.0505 .014 |
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O(3) .3960 .2399 .2944 .007 |
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O(4) -.0757 .1960 .0475 .015 |
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O(5) .9339 .3130 .5515 .016 |
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O(6) .6010 .2423 .2052 .011 |
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O(7) .6558 .1083 .3186 .017 |
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O(8) .3420 .3936 .1813 .020 |
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O(9) .3156 .1438 .1369 .021 |
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O(10) .6855 .3568 .3633 .016 |
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Wat(11) .7023 1/2 .4884 .028 |
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Wat(12) .3460 0 .0103 .046 |
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Wat(13) .5522 0 .1564 .034 |
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Wat(14) .4602 1/2 .3210 .031 |
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Wat(15) .9320 1/2 .3873 .029 |
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Wat(16) .1713 0 .2384 .046 |
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Wat(17) .0661 0 .0749 .033 |
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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
|
| |
|
Zippeite |
|
Burns P C, Deely K M, Hayden L A |
|
The Canadian Mineralogist 41 (2003) 687-706 |
|
The crystal chemistry of the zippeite group |
|
Sample: Zinc-zippeite |
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_database_code_amcsd 0005852 |
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8.6437 14.1664 17.701 90 104.041 90 C2/m |
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atom x y z Uiso |
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U(1) .6667 .2320 .3347 .017 |
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U(2) .3332 .2682 .1650 .016 |
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S(1) 0 .2638 0 .032 |
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S(2) 0 .2508 1/2 .006 |
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Zn(1) .6907 1/2 .3768 .033 |
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Zn(2) .3095 0 .1207 .039 |
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O(1) .8760 .1891 .4526 .015 |
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O(2) -.1150 .3206 -.0541 .027 |
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O(3) .3950 .2391 .2947 .020 |
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O(4) -.0750 .1982 .0488 .017 |
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O(5) .9320 .3155 .5500 .024 |
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O(6) .6030 .2392 .2058 .016 |
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O(7) .6470 .1046 .3186 .023 |
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O(8) .3400 .3930 .1825 .027 |
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O(9) .3260 .1417 .1387 .017 |
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O(10) .6990 .3560 .3688 .024 |
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Wat(11) .7130 1/2 .4919 .026 |
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Wat(12) .3500 0 .0089 .035 |
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Wat(13) .5510 0 .1546 .024 |
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Wat(14) .4540 1/2 .3217 .037 |
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Wat(15) .9350 1/2 .3903 .032 |
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Wat(16) .1730 0 .2412 .045 |
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Wat(17) .0680 0 .0762 .031 |
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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
|
| |
|
Zippeite |
|
Burns P C, Deely K M, Hayden L A |
|
The Canadian Mineralogist 41 (2003) 687-706 |
|
The crystal chemistry of the zippeite group |
|
Sample: Cobalt-zippeite |
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_database_code_amcsd 0005853 |
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8.650 14.252 17.742 90 104.092 90 C2/m |
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atom x y z Uiso |
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U(1) .6674 .2317 .3353 .019 |
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U(2) .3337 .2684 .1654 .010 |
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S(1) 0 .2467 0 .020 |
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S(2) 0 .2400 1/2 .020 |
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Co(1) .6940 1/2 .3737 .031 |
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Co(2) .3080 0 .1261 .029 |
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O(1) -.8770 .1790 .4520 .022 |
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O(2) -.1150 .3120 -.0490 .013 |
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O(3) .3920 .2400 .2915 .032 |
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O(4) -.0760 .1992 .0535 .012 |
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O(5) .9430 .3145 .5459 .014 |
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O(6) .6010 .2414 .2035 .006 |
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O(7) .6640 .1098 .3190 .015 |
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O(8) .3520 .3905 .1830 .028 |
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O(9) .3100 .1445 .1400 .016 |
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O(10) .6820 .3527 .3680 .020 |
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Wat(11) .7130 1/2 .5010 .060 |
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Wat(12) .3340 0 .0140 .044 |
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Wat(13) .5590 0 .1560 .032 |
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Wat(14) .4600 1/2 .3230 .017 |
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Wat(15) .9350 1/2 .3860 .036 |
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Wat(16) .1610 0 .2350 .060 |
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Wat(17) .0630 0 .0726 .020 |
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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
|
| |
|
Zippeite |
|
Burns P C, Deely K M, Hayden L A |
|
The Canadian Mineralogist 41 (2003) 687-706 |
|
The crystal chemistry of the zippeite group |
|
Sample: SZIPPMg |
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_database_code_amcsd 0005854 |
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8.6457 17.2004 18.4642 90 102.119 90 P2_1/c |
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atom x y z Uiso |
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U(1) .3788 .5738 .2579 .011 |
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U(2) .1205 .4062 .2373 .011 |
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U(3) -.1358 .5746 .2292 .011 |
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U(4) .6337 .4055 .2652 .011 |
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Mg(1) .2070 .3953 .4503 .021 |
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Mg(2) .2791 .6082 .0461 .019 |
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S(1) .6218 .7404 .2421 .014 |
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S(2) .1207 .7403 .2393 .016 |
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O(1) .7585 .3084 .7116 .023 |
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O(2) .3755 .4449 .2480 .014 |
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O(3) .6240 .5331 .2437 .019 |
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O(4) .3277 .5966 .1589 .019 |
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O(5) .0749 .4163 .1369 .016 |
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O(6) .1634 .3857 .3356 .017 |
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O(7) -.0430 .2869 .2115 .020 |
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O(8) .1253 .5347 .2490 .016 |
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O(9) .4269 .5612 .3579 .017 |
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O(10) -.0910 .6035 .3250 .016 |
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O(11) .5910 .3721 .1698 .018 |
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O(12) .8078 .2924 .3077 .022 |
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O(13) .5047 .7908 .1951 .021 |
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O(14) .7371 .7900 .2925 .021 |
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O(15) .6773 .4262 .3644 .019 |
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O(16) .8759 .4462 .2473 .015 |
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O(17) -.1802 .5573 .1312 .018 |
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O(18) .0071 .6891 .1910 .018 |
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O(19) .6983 .6933 .1929 .021 |
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O(20) .5485 .6898 .2907 .019 |
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Wat(21) .2289 .6217 -.0653 .025 |
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Wat(22) .2624 .3983 .5625 .025 |
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Wat(23) -.0281 .3738 .4620 .039 |
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Wat(24) .2604 .2781 .4460 .035 |
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Wat(25) .5069 .5729 .0387 .037 |
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Wat(26) .3551 .7212 .0589 .032 |
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Wat(27) .0114 .2414 .0667 .050 |
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Wat(28) .2000 .4932 .0298 .029 |
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Wat(29) .4470 .4253 .4573 .036 |
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Wat(30) .1485 .5127 .4378 .037 |
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Wat(31) .0460 .6409 .0460 .030 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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