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Bavenite |
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Cannillo E, Coda A, Fagnani G |
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Acta Crystallographica 20 (1966) 301-309 |
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The crystal structure of bavenite |
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_database_code_amcsd 0009299 |
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23.19 5.005 19.39 90 90 90 Cmcm |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .0842 .2425 .1524 1.29 .01440 .02234 .01225 .00000 .00000 .00125 |
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Be2 .1252 .8218 .25 1.37 .02402 .01597 .01210 .00389 0 0 |
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Al4 .0958 .5 0 .97 .01000 .01689 .01000 0 0 .00024 |
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Si1 0 .7802 .25 .77 .00490 .01440 .01000 0 0 0 |
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Si3 0 .7227 .1047 .92 .01000 .01690 .00810 0 0 0 |
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Si5 .1704 0 0 .94 .00810 .01956 .00813 0 0 .00060 |
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Si6 .2141 .8539 .1428 .81 .00816 .01433 .00810 -.00065 .00000 .00000 |
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O1 0 .5769 .1830 .88 .01690 .00758 .00881 0 0 -.00169 |
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O2 0 .0302 .1139 1.36 .01690 .02250 .01210 0 0 .00000 |
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O3 .0572 .5976 .0718 1.47 .01902 .02371 .01300 .00352 .00485 -.00035 |
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O4 .1314 .2298 .0361 1.29 .01618 .01952 .01325 .00335 .00218 .00238 |
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O5 .2081 .8636 .0598 1.21 .01381 .01827 .01390 .00255 -.00131 -.00022 |
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O6 .2337 .5575 .1646 1.18 .01058 .02129 .01290 -.00102 .00056 .00343 |
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O7 .1547 .9245 .1799 1.14 .01396 .01588 .01344 -.00135 .00072 .00123 |
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O8 .1211 .4868 .25 1.22 .01059 .01631 .01960 -.00192 0 0 |
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O9 .0586 .9504 .25 .91 .00813 .01210 .01440 .00034 0 0 |
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H .100 .267 .25 |
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Stenhuggarite |
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Coda A, Dal Negro A, Sabelli C, Tazzoli V |
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Acta Crystallographica B33 (1977) 1807-1811 |
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The crystal structure of stenhuggarite |
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_database_code_amcsd 0009591 |
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16.144 16.144 10.706 90 90 90 *I4_1/a |
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0 .25 .125 |
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atom x y z Biso |
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Ca .3493 .4388 -.4768 .48 |
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Fe .2373 .2575 -.4916 .41 |
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Sb .32658 .42697 .01620 .70 |
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As1 .3850 .2981 -.2615 .56 |
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As2 .3973 .3146 -.7039 .41 |
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O1 .3272 .3154 -.1225 1.08 |
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O2 .2527 .4845 -.1007 .59 |
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O3 .2468 .3448 .0806 .82 |
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O4 .3049 .3100 -.3738 .96 |
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O5 .3020 .3283 -.6317 .70 |
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O6 .4201 .4008 -.2883 1.13 |
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O7 .4544 .3389 -.5612 .82 |
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Andersonite |
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Coda A, Della Giusta A, Tazzoli V |
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Acta Crystallographica B37 (1981) 1496-1500 |
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The structure of synthetic andersonite, Na2Ca[UO2(CO3)3].x(H2O) (x~5.6) |
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Note: anisotropic displacement factors are from ICSD |
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Note: B(2,2) for C2 changed to reproduce Biso and make positive definite |
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_database_code_amcsd 0009746 |
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17.902 17.902 23.734 90 90 120 R-3m |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Na1 .1842 -.1842 .1622 2.9 .0030 .0030 .0013 .0015 .0002 -.0002 |
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Na2 .1271 -.1271 .8912 3.6 .0034 .0034 .0015 .0009 -.0003 .0003 |
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Ca .5442 -.5442 .0566 1.9 .0019 .0019 .0008 .0008 -.0001 .0001 |
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U .22372 -.22372 .01171 1.76 .00163 .00163 .00086 .00064 .00002 -.00002 |
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C1 .255 -.255 .901 4.0 .0034 .0034 .0019 .0006 .0005 -.0005 |
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C2 .349 .421 .066 2.0 .0023 .0017 .0010 .0009 .0001 -.0006 |
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O1 .2621 -.2621 .8471 2.3 .0035 .0035 .0002 .0018 -.0002 .0002 |
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O2 .5061 .3134 .0708 2.6 .0034 .0025 .0011 .0017 -.0011 -.0002 |
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O3 .2706 .3857 .0859 2.3 .0020 .0030 .0007 .0009 .0005 .0005 |
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O4 .3664 .4594 .0193 2.6 .0026 .0027 .0011 .0011 .0008 .0016 |
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O5 .4067 .4133 .0948 2.5 .0031 .0045 .0008 .0032 .0003 .0003 |
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O6 .2746 -.2746 .0489 3.3 .0030 .0030 .0015 .0011 -.0008 .0008 |
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O7 .1735 -.1735 .9757 2.8 .0029 .0029 .0013 .0017 -.0002 .0002 |
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Wat1 .5605 -.5605 .1622 2.3 .0025 .0025 .0005 .0006 -.0001 .0001 |
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Wat2 .4093 -.4093 .1379 2.2 .0029 .0029 .0006 .0016 -.0002 .0002 |
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Wat3 .403 0 .5 2.8 .0031 .0024 .0012 .0012 -.0003 -.0006 |
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Wat4 .1830 .1920 .0593 4.9 .0059 .0087 .0013 .0054 -.0002 .0002 |
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Krauskopfite |
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Coda A, dal Negro A, Rossi G |
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Atti della Accademia Nazionale dei Lincei 42 (1967) 859-873 |
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The crystal structure of krauskopfite |
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Locality: Rush Creek locality, Fresno County, California |
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_database_code_amcsd 0012050 |
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7.837 10.622 8.460 90 94.53 90 P2_1/c |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba .20617 .14932 .12217 .0054 .0029 .0042 -.0001 .0002 0 |
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Si1 .49067 .38317 .27346 .0041 .0020 .0037 .0000 .0001 .0002 |
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Si2 .70113 .24619 .53086 .0044 .0025 .0030 .0000 .0003 .0004 |
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O1 .5351 .2885 .1273 .0088 .0034 .0040 .0000 .0008 .0000 |
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O2 .5205 .5275 .2182 .0084 .0032 .0067 .0005 -.0012 .0006 |
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O3 .3071 .3494 .3190 .0063 .0035 .0057 .0005 .0013 .0006 |
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O4 .6407 .3676 .4175 .0073 .0023 .0061 .0002 .0002 .0008 |
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O5 .7659 .1299 .4325 .0097 .0037 .0053 .0008 .0016 .0005 |
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O6 .8566 .2926 .6594 .0070 .0040 .0032 .0004 .0011 .0011 |
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O7 .1253 .1183 .4587 .0093 .0053 .0065 -.0009 .0003 .0004 |
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O8 .9930 .4335 .3292 .0085 .0044 .0078 .0002 .0005 -.0002 |
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H1 .1182 .4001 .3248 2.5 |
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H2 .9442 .3533 .2682 2.5 |
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H3 .9915 .1220 .4494 2.5 |
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H4 .1653 .0275 .4984 2.5 |
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H5 .8197 .1761 .2695 2.5 |
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H6 .5901 .0663 .3403 2.5 |
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Wagnerite |
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Coda A, Giuseppetti G, Tadini C, Carobbi S G |
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Atti della Accademia Nazionale dei Lincei 43 (1967) 212-224 |
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The crystal structure of wagnerite |
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Locality: Hollgraben near Werfen, Austria |
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_database_code_amcsd 0012052 |
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9.644 12.679 11.957 90 108.30 90 P2_1/c |
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atom x y z Biso |
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Mg1 .5519 .0708 .9131 .71 |
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Mg2 .4661 .0697 .6003 .73 |
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Mg3 .0458 .1820 .9195 .47 |
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Mg4 .9648 .1782 .6071 .43 |
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Mg5 .1907 .0193 .1900 .35 |
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Mg6 .7896 .0040 .3071 .28 |
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Mg7 .3066 .2316 .3134 .54 |
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Mg8 .7069 .2457 .1947 .36 |
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P1 .1165 .0764 .4257 .36 |
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P2 .8787 .0716 .0760 .34 |
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P3 .3836 .1753 .0752 .35 |
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P4 .6200 .1781 .4235 .36 |
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O1 .1766 .1114 .3258 .65 |
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O2 .7981 .0943 .1646 .63 |
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O3 .3160 .1430 .1708 .9 |
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O4 .6921 .1501 .3296 .97 |
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O5 .2436 .0469 .5355 .68 |
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O6 .7674 .0539 .9529 .74 |
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O7 .2635 .2030 .9601 .68 |
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O8 .7387 .2032 .5398 .67 |
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O9 .9858 .0180 .6208 .92 |
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O10 .0227 .0272 .8844 .66 |
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O11 .4843 .2291 .6180 .76 |
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O12 .5190 .2252 .8817 .82 |
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O13 .4731 .0836 .0511 .98 |
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O14 .5190 .0877 .4393 1.01 |
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O15 .0265 .1659 .4561 .65 |
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O16 .9831 .1611 .0688 .85 |
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F1 .4171 .0475 .7548 1.16 |
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F2 .6706 .0828 .7146 1.17 |
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F3 .1724 .1625 .7200 1.22 |
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F4 .9139 .2044 .7598 1.18 |
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|
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