|
Mn[UO2AsO4]2(H2O)12 |
| |
Locock A J, Burns P C, Flynn M |
 |
The Canadian Mineralogist 42 (2004) 1699-1718 |
|
Divalent transition metals and magnesium in structures |
|
that contain the autunite-type sheet |
|
Sample: MnUAs12 |
|
7.1359 7.1439 11.3616 81.592 81.639 88.918 P-1 |
|
atom x y z Uiso |
|
Mn .5 .5 .5 .030 |
|
U .2325 .7301 .0793 .013 |
|
As .7491 .7545 .0011 .013 |
|
O1 .5475 .6950 .0935 .021 |
|
O2 .9152 .7765 .0883 .020 |
|
O3 .7273 .9558 -.0909 .021 |
|
O4 .8084 .5869 -.0854 .021 |
|
O5 .2723 .7682 -.0784 .024 |
|
O6 .1889 .6874 .2380 .024 |
|
Wat1 -.2884 .7053 .5258 .041 |
|
Wat2 .3030 .7250 .4527 .045 |
|
Wat3 -.0307 .2901 .3035 .040 |
|
Wat4 .5765 -.0576 .6893 .039 |
|
Wat5 .6313 .5003 .3161 .041 |
|
Wat6 -.1988 .9405 .3135 .042 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Kirchheimerite |
| |
Locock A J, Burns P C, Flynn M |
|
The Canadian Mineralogist 42 (2004) 1699-1718 |
|
Divalent transition metals and magnesium in structures |
|
that contain the autunite-type sheet |
|
Sample: CoUAs12 |
|
7.1552 7.1586 11.2912 81.487 81.410 88.891 P-1 |
|
atom x y z Uiso |
|
Co 0 0 .5 .027 |
|
U .2303 .7325 .0800 .013 |
|
As .7462 .7511 -.0018 .014 |
|
O1 .5439 .7736 .0918 .020 |
|
O2 .9138 .6921 .0854 .021 |
|
O3 .8082 .9535 -.0961 .020 |
|
O4 .7233 .5849 -.0891 .022 |
|
O5 .2718 .7767 -.0804 .017 |
|
O6 .1866 .6878 .2412 .023 |
|
Wat1 -.1942 .7926 .4744 .035 |
|
Wat2 .2179 .8124 .4548 .038 |
|
Wat3 .5592 .9241 .3134 .038 |
|
Wat4 .5606 -.3020 .6825 .042 |
|
Wat5 .7930 .4656 .3068 .041 |
|
Wat6 .0022 .1310 .3218 .038 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Novacekite |
 |
Locock A J, Burns P C, Flynn M |
|
The Canadian Mineralogist 42 (2004) 1699-1718 |
|
Divalent transition metals and magnesium in structures |
|
that contain the autunite-type sheet |
|
Sample: MgUAs12 |
|
7.1594 7.1610 11.3146 81.391 81.177 88.884 P-1 |
|
atom x y z Uiso |
|
Mg 0 0 .5 .028 |
|
U .7322 .2300 .0798 .012 |
|
As .7509 .7457 -.0015 .012 |
|
O1 .7759 .2688 -.0797 .011 |
|
O2 .6863 .1871 .2401 .021 |
|
O3 .7726 .5427 .0922 .019 |
|
O4 .6926 .9131 .0864 .021 |
|
O5 .5854 .7254 -.0894 .020 |
|
O6 .9546 .8049 -.0959 .019 |
|
Wat1 .8013 -.1966 .4748 .034 |
|
Wat2 .1286 .0028 .3236 .039 |
|
Wat3 .8163 .2132 .4508 .039 |
|
Wat4 .4675 .7906 .3071 .040 |
|
Wat5 .0789 .4415 .6868 .039 |
|
Wat6 .3002 .4404 .3149 .041 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Novacekite I |
| |
Locock A J, Burns P C, Flynn M |
|
The Canadian Mineralogist 42 (2004) 1699-1718 |
|
Divalent transition metals and magnesium in structures |
|
that contain the autunite-type sheet |
|
Sample: MgUAs12 |
|
7.1594 7.1610 11.3146 81.391 81.177 88.884 P-1 |
|
atom x y z Uiso |
|
Mg 0 0 .5 .028 |
|
U .7322 .2300 .0798 .012 |
|
As .7509 .7457 -.0015 .012 |
|
O1 .7759 .2688 -.0797 .011 |
|
O2 .6863 .1871 .2401 .021 |
|
O3 .7726 .5427 .0922 .019 |
|
O4 .6926 .9131 .0864 .021 |
|
O5 .5854 .7254 -.0894 .020 |
|
O6 .9546 .8049 -.0959 .019 |
|
Wat1 .8013 -.1966 .4748 .034 |
|
Wat2 .1286 .0028 .3236 .039 |
|
Wat3 .8163 .2132 .4508 .039 |
|
Wat4 .4675 .7906 .3071 .040 |
|
Wat5 .0789 .4415 .6868 .039 |
|
Wat6 .3002 .4404 .3149 .041 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ni[UO2AsO4]2(H2O)12 |
| |
Locock A J, Burns P C, Flynn M |
|
The Canadian Mineralogist 42 (2004) 1699-1718 |
|
Divalent transition metals and magnesium in structures |
|
that contain the autunite-type sheet |
|
Sample: NiUAs12 |
|
7.1523 7.1583 11.2564 81.549 81.356 88.916 P-1 |
|
atom x y z Uiso |
|
Ni 0 0 .5 .025 |
|
U .2301 .7327 .0802 .013 |
|
As .7458 .7511 -.0018 .014 |
|
O1 .5437 .7756 .0926 .022 |
|
O2 .9133 .6899 .0869 .023 |
|
O3 .8065 .9530 -.0956 .021 |
|
O4 .7231 .5848 -.0894 .022 |
|
O5 .2711 .7764 -.0806 .028 |
|
O6 .1858 .6878 .2424 .024 |
|
OW7 -.1892 .7975 .4726 .033 |
|
OW8 .2148 .8173 .4544 .035 |
|
OW9 .0034 .1287 .3253 .040 |
|
OW10 .4404 .0746 .6835 .037 |
|
OW11 .7893 .4653 .3082 .040 |
|
OW12 .4374 .3013 .3187 .042 |
|
H1 -.3020 .7770 .4410 .050 |
|
H2 -.1970 .8940 .4070 .050 |
|
H3 .2020 .7560 .3860 .050 |
|
H4 .3160 .8980 .4170 .050 |
|
H5 -.0310 .2530 .2970 .050 |
|
H6 .0700 .1060 .2500 .050 |
|
H7 .4470 .1080 .7600 .050 |
|
H8 .4330 -.0560 .7140 .050 |
|
H9 .8360 .5430 .2340 .050 |
|
H10 .8100 .5440 .3670 .050 |
|
H11 .5580 .3570 .3180 .050 |
|
H12 .3470 .3720 .2750 .050 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ni[UO2PO4]2(H2O)12 |
| |
Locock A J, Burns P C, Flynn M |
|
The Canadian Mineralogist 42 (2004) 1699-1718 |
|
Divalent transition metals and magnesium in structures |
|
that contain the autunite-type sheet |
|
Sample: NiUP12 |
|
6.9962 7.0012 11.171 81.591 82.189 88.721 P-1 |
|
atom x y z Uiso |
|
Ni 0 .5 .5 .023 |
|
U -.2646 .7316 .0729 .011 |
|
P .2493 .7536 .0019 .012 |
|
O1 .0599 .7039 .0866 .020 |
|
O2 .4087 .7690 .0827 .020 |
|
O3 -.3056 .6880 .2359 .020 |
|
O4 .2311 .9453 -.0818 .019 |
|
O5 .2993 .5939 -.0789 .020 |
|
O6 -.2246 .7717 -.0887 .028 |
|
OW7 .1300 .5052 .3234 .036 |
|
OW8 -.2068 .3103 .4708 .032 |
|
OW9 .1896 .2801 .5438 .034 |
|
OW10 .4728 .2917 .3046 .035 |
|
OW11 .9245 .0609 .3113 .035 |
|
OW12 .3075 .9332 .3185 .040 |
|
H1 .1390 .1550 .5740 .050 |
|
H2 -.2730 .2050 .5180 .050 |
|
H3 .2560 .4500 .3170 .050 |
|
H4 .2650 .3110 .6030 .050 |
|
H5 .8680 .0710 .2370 .050 |
|
H6 -.1500 .2480 .4040 .050 |
|
H7 .5600 .3280 .2310 .050 |
|
H8 .3600 .8850 .2460 .050 |
|
H9 .0460 .0370 .2680 .050 |
|
H10 .5600 .2830 .3640 .050 |
|
H11 .3740 .0530 .2990 .050 |
|
H12 .0510 .5470 .2610 .050 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Mn[UO2PO4]2(H2O)10 |
| |
Locock A J, Burns P C, Flynn M |
|
The Canadian Mineralogist 42 (2004) 1699-1718 |
|
Divalent transition metals and magnesium in structures |
|
that contain the autunite-type sheet |
|
Sample: MnUP10 |
|
6.9656 20.3768 6.9775 90 91.019 90 I2/m |
|
atom x y z Uiso |
|
Mn 0 0 0 .042 |
|
U 0 .2091 .5 .013 |
|
P 0 .2482 0 .016 |
|
O1 0 .1209 .5 .024 |
|
O2 0 .2966 .5 .027 |
|
O3 .0371 .2035 .1743 .023 |
|
O4 .3264 .2075 .5354 .023 |
|
Wat1 .2991 .4203 .4268 .055 |
|
Wat2 .1116 0 -.2925 .087 |
|
Wat3 .0542 .4151 .7897 .072 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Co[UO2PO4]2(H2O)10 |
| |
Locock A J, Burns P C, Flynn M |
|
The Canadian Mineralogist 42 (2004) 1699-1718 |
|
Divalent transition metals and magnesium in structures |
|
that contain the autunite-type sheet |
|
Sample: CoUP10 |
|
6.9490 19.9348 6.9620 90 90.440 90 P2_1/n |
|
atom x y z Uiso |
|
Co 0 .5 0 .023 |
|
U .4503 .2083 .9805 .009 |
|
P .9484 .2515 .9779 .011 |
|
O1 .4074 .2015 .3070 .019 |
|
O2 .4862 .2042 .6538 .019 |
|
O3 .1247 .2082 -.0614 .018 |
|
O4 .7790 .2047 .0213 .018 |
|
O5 .4545 .2975 .9848 .022 |
|
O6 .4463 .1193 .9789 .020 |
|
Wat1 .5941 .0035 .2187 .039 |
|
Wat2 .2295 .5714 .0721 .031 |
|
Wat3 .8283 .5817 .9404 .032 |
|
Wat4 .0229 .0837 .7426 .038 |
|
Wat5 .9350 .0739 .1491 .066 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ni[UO2PO4]2(H2O)10 |
| |
Locock A J, Burns P C, Flynn M |
|
The Canadian Mineralogist 42 (2004) 1699-1718 |
|
Divalent transition metals and magnesium in structures |
|
that contain the autunite-type sheet |
|
Sample: NiUP10 |
|
6.9506 19.8215 6.9711 90 90.418 90 P2_1/n |
|
atom x y z Uiso |
|
Ni 0 0 0 .020 |
|
U .0517 .2083 .5219 .009 |
|
P -.4457 .2518 .5258 .011 |
|
O1 .3784 .2080 .5691 .020 |
|
O2 .0149 .2037 .8497 .017 |
|
O3 .0968 .2011 .1961 .018 |
|
O4 .0565 .1181 .5252 .019 |
|
O5 .0463 .2978 .5182 .019 |
|
O6 -.2746 .2045 .4879 .018 |
|
Wat1 .2264 .0680 .0675 .028 |
|
Wat2 -.0886 .0047 .2778 .030 |
|
Wat3 -.0244 .4169 .2589 .034 |
|
Wat4 .0670 .4276 .8545 .051 |
|
Wat5 -.1718 .0812 -.0588 .029 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Novacekite II |
| |
Locock A J, Burns P C, Flynn M |
|
The Canadian Mineralogist 42 (2004) 1699-1718 |
|
Divalent transition metals and magnesium in structures |
|
that contain the autunite-type sheet |
|
Sample: MgUAs10 |
|
7.1328 20.085 7.1569 90 90.585 90 P2_1/n |
|
atom x y z Uiso |
|
Mg -.5 .5 0 .033 |
|
U .0592 .2044 .0227 .015 |
|
As -.4395 .2511 .0263 .016 |
|
O1 -.2585 .2000 -.0214 .018 |
|
O2 .0561 .2922 .0168 .026 |
|
O3 -.4844 .3008 -.1584 .020 |
|
O4 -.6280 .2020 .0780 .034 |
|
O5 -.3940 .3040 .2065 .021 |
|
O6 .0614 .1161 .0261 .015 |
|
Wat1 -.3320 .5798 .0700 .035 |
|
Wat2 -.4100 .5039 -.2700 .041 |
|
Wat3 -.7218 .5677 -.0720 .040 |
|
Wat4 -.5240 .0816 .2670 .045 |
|
Wat5 -.4190 .0739 -.1570 .099 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Mn[UO2AsO4]2(H2O)8 |
| |
Locock A J, Burns P C, Flynn M |
|
The Canadian Mineralogist 42 (2004) 1699-1718 |
|
Divalent transition metals and magnesium in structures |
|
that contain the autunite-type sheet |
|
Sample: MnUAs8 |
|
7.2244 9.9170 13.337 75.012 84.136 81.995 P-1 |
|
atom x y z Uiso |
|
Mn .3228 .3606 .2594 .021 |
|
U1 .2347 .6923 .4009 .010 |
|
U2 .2282 .2001 -.0914 .011 |
|
As1 .2519 .8720 .1202 .011 |
|
As2 .2465 .3776 -.3724 .012 |
|
O1 .2618 .0445 .0669 .020 |
|
O2 .1977 .8337 .4631 .018 |
|
O3 .1903 .3384 -.0263 .019 |
|
O4 .0876 .8121 .0685 .019 |
|
O5 .4586 .7772 .0993 .021 |
|
O6 .4546 .2828 -.3884 .021 |
|
O7 .0823 .3133 -.4212 .019 |
|
O8 .2589 .5472 -.4367 .021 |
|
O9 .1992 .8550 .2485 .021 |
|
O10 .2710 .5463 .3388 .022 |
|
O11 .2681 .0629 -.1579 .023 |
|
O12 .1922 .3710 -.2455 .019 |
|
Wat1 .4133 .1781 .1957 .035 |
|
Wat2 .5745 .2911 .3405 .041 |
|
Wat3 .1727 .2279 .3884 .042 |
|
Wat4 .0703 .4317 .1795 .045 |
|
Wat5 .4782 .4847 .1300 .045 |
|
Wat6 .9578 .0906 .2978 .043 |
|
Wat7 .7827 .2786 .1153 .055 |
|
Wat8 .3758 .0068 .5937 .079 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Metakahlerite |
|
Locock A J, Burns P C, Flynn M |
|
The Canadian Mineralogist 42 (2004) 1699-1718 |
|
Divalent transition metals and magnesium in structures |
|
that contain the autunite-type sheet |
|
Sample: FeUAs8 |
|
7.2072 9.8242 13.2708 75.3701 84.024 81.839 P-1 |
|
atom x y z Uiso |
|
Fe .3267 .3607 .2603 .020 |
|
U1 .2344 .6930 .4008 .011 |
|
U2 .2282 .2010 -.0914 .012 |
|
As1 .2515 .8716 .1200 .012 |
|
As2 .2464 .3780 -.3726 .013 |
|
O1 .2620 .0461 .0676 .021 |
|
O2 .1963 .8344 .4628 .018 |
|
O3 .1887 .3399 -.0260 .020 |
|
O4 .0873 .8121 .0673 .020 |
|
O5 .4588 .7762 .1009 .021 |
|
O6 .4542 .2815 -.3873 .021 |
|
O7 .0825 .3152 -.4231 .020 |
|
O8 .2609 .5491 -.4359 .022 |
|
O9 .1960 .8553 .2483 .022 |
|
O10 .2716 .5464 .3381 .023 |
|
O11 .2683 .0625 -.1576 .026 |
|
O12 .1888 .3717 -.2456 .021 |
|
Wat1 .4113 .1800 .1965 .032 |
|
Wat2 .5697 .2896 .3425 .039 |
|
Wat3 .1766 .2338 .3847 .040 |
|
Wat4 .0833 .4329 .1799 .041 |
|
Wat5 .4786 .4803 .1349 .041 |
|
Wat6 .9628 .0959 .2973 .038 |
|
Wat7 .7833 .2812 .1159 .054 |
|
Wat8 .3666 .0073 .5924 .064 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Metakirchheimerite |
|
Locock A J, Burns P C, Flynn M |
|
The Canadian Mineralogist 42 (2004) 1699-1718 |
|
Divalent transition metals and magnesium in structures |
|
that contain the autunite-type sheet |
|
Sample: CoUAs8 |
|
7.1955 9.7715 13.2319 75.525 84.052 81.661 P-1 |
|
atom x y z Uiso |
|
Co .3278 .3616 .2616 .019 |
|
U1 .2351 .6933 .4006 .011 |
|
U2 .2266 .2022 -.0912 .012 |
|
As1 .2522 .8715 .1199 .012 |
|
As2 .2457 .3786 -.3723 .012 |
|
O1 .2615 .0460 .0666 .020 |
|
O2 .1954 .8364 .4625 .020 |
|
O3 .1858 .3420 -.0251 .021 |
|
O4 .0887 .8111 .0662 .020 |
|
O5 .4600 .7745 .1012 .023 |
|
O6 .4538 .2796 -.3858 .021 |
|
O7 .0811 .3161 -.4241 .020 |
|
O8 .2616 .5495 -.4361 .020 |
|
O9 .1953 .8556 .2480 .021 |
|
O10 .2741 .5461 .3378 .023 |
|
O11 .2679 .0632 -.1585 .026 |
|
O12 .1860 .3728 -.2451 .020 |
|
Wat1 .4113 .1813 .1984 .030 |
|
Wat2 .5648 .2890 .3408 .034 |
|
Wat3 .1777 .2376 .3830 .037 |
|
Wat4 .0892 .4297 .1824 .040 |
|
Wat5 .4805 .4778 .1402 .042 |
|
Wat6 .9642 .0982 .2950 .037 |
|
Wat7 .7774 .2778 .1189 .050 |
|
Wat8 .3609 .0056 .5907 .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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