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Na3Ca6(UO2)4(CO3)12(H2O)17 |
| |
Vochten R, Haverbeke L V, Springel K V |
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The Canadian Mineralogist 32 (1994) 553-561 |
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The structure and physicochemical characteristics of a synthetic |
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phase compositionally intermediate between liebigite and andersonite |
|
_database_code_amcsd 0005406 |
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18.150 16.866 18.436 90 90 90 Pnnm |
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atom x y z Uiso |
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Na8 .6675 .5292 .2842 .054 |
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Na9 .6787 .8640 0 .074 |
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Ca4 .5576 .6740 .1861 .0188 |
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Ca5 .4370 .8206 .3147 .0199 |
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Ca6 .7516 .5268 0 .0236 |
|
Ca7 .3196 .9258 0 .024 |
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U1 .7470 .7904 .2278 .020 |
|
U2 .5122 .7210 .5 .020 |
|
U3 .4792 .763 0 .019 |
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C11 .7493 .6377 .1558 .023 |
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C12 .6085 .8569 .2719 .025 |
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C13 .3853 .6383 .2372 .026 |
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C21 .5598 .6577 .3635 .024 |
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C22 .411 .855 .5 .030 |
|
C31 .4255 .8258 .1369 .022 |
|
C32 .594 .643 0 .038 |
|
O11 .7413 .8380 .1422 .036 |
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O12 .7521 .7443 .3145 .032 |
|
O111 .8074 .6800 .1683 .029 |
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O112 .6892 .6703 .1808 .039 |
|
O113 .7518 .5721 .1241 .029 |
|
O121 .6706 .8909 .2834 .032 |
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O122 .6120 .7909 .2368 .031 |
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O123 .5484 .8878 .2931 .038 |
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O131 .3229 .6009 .2276 .028 |
|
O132 .3826 .7030 .2703 .028 |
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O133 .4435 .6108 .2091 .032 |
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O21 .5911 .7820 .5 .035 |
|
O22 .4334 .6571 .5 .033 |
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O211 .5780 .6272 .4254 .034 |
|
O212 .5158 .7176 .3681 .030 |
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O213 .5828 .6300 .3045 .032 |
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O221 .4394 .8219 .4415 .035 |
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O222 .3636 .907 .5 .043 |
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O31 .5465 .8372 0 .036 |
|
O32 .4122 .6852 0 .040 |
|
O311 .4743 .7699 .1330 .027 |
|
O312 .3987 .8465 .0742 .028 |
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O313 .4084 .8599 .1939 .030 |
|
O321 .5653 .6746 .0590 .037 |
|
O322 .6371 .5867 0 .039 |
|
Wat41 .5885 .5372 .1616 .045 |
|
Wat51 .4115 .9604 .3423 .034 |
|
Wat61 .698 .4218 -.0747 .088 |
|
Wat71 .8640 .4719 .4171 .041 |
|
Wat72 .7299 .6266 .4181 .058 |
|
Wat73 .7261 .4682 .5 .037 |
|
Wat81 .2956 .9712 .2074 .041 |
|
Wat82 .6137 .4667 .3906 .053 |
|
Wat91 .260 .747 .5 .069 |
|
Wat92 .5 0 .1561 .043 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Zippeite |
 |
Vochten R, Van Haverbeke L, Van Springel K, Blaton N, Peeters O M |
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The Canadian Mineralogist 33 (1995) 1091-1101 |
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The structure and physicochemical characteristics of synthetic zippeite |
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Note: S occupancies increase from .5 to full to match formula |
|
_database_code_amcsd 0005465 |
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8.755 13.987 17.730 90 104.13 90 C2/c |
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atom x y z Uiso occ |
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K1 .4487 .2408 .1347 .0188 .5 |
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K2 .428 .2654 .0708 .0206 .5 |
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U1 .1668 .01573 .08649 .0134 |
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U2 .6665 .98427 .08618 .0151 |
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S1 .5 -.0078 .25 .0141 |
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S2 0 .0016 .25 .013 |
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O1 .192 .1418 .0712 .0152 |
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O1' .198 .8978 .1163 .014 |
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O2 .651 .1072 .1110 .0160 |
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O2' .648 .8647 .0557 .014 |
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OH3 .393 -.028 .0459 .0157 |
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OH4 -.099 -.0059 .0440 .012 |
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O5 .5587 -.0701 .1955 .0145 |
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O6 .0820 .0636 .2048 .0150 |
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O7 .3889 .0549 .1975 .0164 |
|
O8 .878 -.0569 .2008 .017 |
|
OH9 .285 .2691 .2625 .0191 |
|
Wat10 .088 .255 .402 .073 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Co0.75K0.5SU2O13H6 |
| |
Peeters O M, Vochten R, Blaton N |
| |
The Canadian Mineralogist 46 (2008) 173-182 |
|
The crystal structures of synthetic potassium - transition-metal zippeite-group phases |
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Sample: K-Co |
|
_database_code_amcsd 0006163 |
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8.651 14.188 17.713 90 104.14 90 C2/c |
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atom x y z occ Uiso |
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K .1914 .251 .3992 .385 .0462 |
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Co1 .9448 .2513 .37280 .484 .0225 |
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Co2 .5 .2495 .25 .238 .0124 |
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U1 .41504 .01901 .33474 .0070 |
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U2 .91870 -.01831 .33490 .0102 |
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S .7510 .00202 .5008 .0121 |
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O1 .405 .1463 .3182 .016 |
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O1' .4316 -.1037 .3650 .0030 |
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O2 .932 .1044 .3597 .030 |
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O2' .908 -.1434 .3155 .013 |
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O3 .636 .0008 .2957 .000 |
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O4 .151 .0069 .2941 .027 |
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O5 .8385 -.0592 .4542 .018 |
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O6 .6966 -.0600 .5541 .002 |
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O7 .6216 .0525 .4537 .010 |
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O8 .8650 .0738 .5516 .005 |
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Wat9 .7069 .248 .3346 .023 |
|
Wat10 .195 .242 .4264 .76 .014 |
|
Wat11 .9537 .252 .4968 .062 |
|
Wat12 0 .248 .25 .55 .058 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Mn0.75K0.5SU2O13H6 |
| |
Peeters O M, Vochten R, Blaton N |
| |
The Canadian Mineralogist 46 (2008) 173-182 |
|
The crystal structures of synthetic potassium - transition-metal zippeite-group phases |
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Sample: K-Mn |
|
_database_code_amcsd 0006164 |
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8.661 14.375 17.705 90 104.12 90 C2/c |
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atom x y z occ Uiso |
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K .2013 .2508 .4049 .389 00337 |
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Mn1 .9512 .2506 .37572 .484 .0152 |
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Mn2 .5 .2501 .25 .248 .0102 |
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U1 .41820 .01872 .33547 .0076 |
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U2 .91460 -.01879 .33410 .0049 |
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S .7473 .00300 .4989 .0111 |
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O1 .4193 .1444 .3179 .0182 |
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O1' .4333 -.1056 .3575 .0114 |
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O2 .9397 .1012 .3700 .0102 |
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O2' .8896 -.1415 .3150 .0038 |
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O3 .6469 -.0067 .2932 .0133 |
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O4 .1475 -.0064 .2957 .0044 |
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O5 .8142 -.0591 .4542 .0171 |
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O6 .6730 -.0560 .5524 .0124 |
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O7 .6215 .0595 .4546 .0141 |
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O8 .8638 .0679 .5539 .0083 |
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Wat9 .7072 .2494 .3354 .0318 |
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Wat10 .2006 .2423 .4292 .70 .025 |
|
Wat11 .9498 .2546 .4967 .0324 |
|
Wat12 0 .250 .25 .54 .046 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ni0.75K0.5SU2O13H6 |
| |
Peeters O M, Vochten R, Blaton N |
| |
The Canadian Mineralogist 46 (2008) 173-182 |
|
The crystal structures of synthetic potassium - transition-metal zippeite-group phases |
|
Sample: K-Ni |
|
_database_code_amcsd 0006165 |
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8.662 14.095 17.770 90 104.18 90 C2/c |
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atom x y z occ Uiso |
|
K .1916 .250 .4007 .299 0089 |
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Ni1 .9382 .2491 .36853 .442 .0305 |
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Ni2 .5 .2503 .25 .199 .0285 |
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U1 .41719 .01812 .33493 .0137 |
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U2 .91652 -.01847 .33490 .0148 |
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S .7509 .00185 .5000 .0179 |
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O1 .4169 .1432 .3144 .031 |
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O1' .4250 -.1080 .3587 .0176 |
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O2 .9380 .1050 .3681 .026 |
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O2' .9040 -.1482 .3182 .0141 |
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O3 .6415 -.0128 .2919 .0149 |
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O4 .1537 -.0086 .2978 .0170 |
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O5 .8075 -.0669 .4468 .0196 |
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O6 .6680 -.0563 .5466 .0195 |
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O7 .6257 .0530 .4493 .0188 |
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O8 .8693 .0720 .5492 .0107 |
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Wat9 .7029 .251 .3353 .0247 |
|
Wat10 .1906 .249 .4443 .77 .027 |
|
Wat11 .9540 .249 .4991 .081 |
|
Wat12 0 .246 .25 .54 .126 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zn0.75K0.5SU2O13H6 |
| |
Peeters O M, Vochten R, Blaton N |
| |
The Canadian Mineralogist 46 (2008) 173-182 |
|
The crystal structures of synthetic potassium - transition-metal zippeite-group phases |
|
Sample: K-Zn |
|
_database_code_amcsd 0006166 |
|
8.650 14.180 17.709 90 104.14 90 C2/c |
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atom x y z occ Uiso |
|
K .1923 0250 .4001 .37 .0309 |
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Zn1 .9478 .2488 .3753 .461 .0238 |
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Zn2 .5 .2480 .25 .226 .0145 |
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U1 .41884 .01922 .33416 .0099 |
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U2 .91483 -.01826 .33517 .0055 |
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S .7561 .0027 .4980 .0121 |
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O1 .418 .1445 .3143 .014 |
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O1' .4261 -.1051 .3605 .000 |
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O2 .943 .1017 .3702 .051 |
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O2' .8910 -.1438 .3201 .010 |
|
O3 .652 -.0091 .2969 .017 |
|
O4 .146 -.0040 .2935 .006 |
|
O5 .8260 -.0479 .4518 .011 |
|
O6 .6906 -.0680 .5526 .006 |
|
O7 .616 .0676 .4565 .019 |
|
O8 .8646 .0622 .5519 .007 |
|
Wat9 .7035 .254 .3344 .028 |
|
Wat10 .199 .243 .4303 .79 .016 |
|
Wat11 .953 .250 .4941 .046 |
|
Wat12 0 .252 .25 .37 .058 |
|
|
| 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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