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Aksaite |
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Dal Negro A, Ungaretti L, Sabelli C |
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American Mineralogist 56 (1971) 1553-1566 |
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The crystal structure of aksaite |
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12.540 24.327 7.480 90 90 90 Pbca |
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atom x y z Biso |
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Mg .4316 .1279 .0542 .67 |
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B1 .6592 .3673 .3902 .82 |
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B2 .5015 .3358 .1876 .86 |
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B3 .5303 .4387 .2506 .79 |
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B4 .6577 .2761 .2450 .85 |
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B5 .4553 .4053 -.0318 .83 |
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B6 .7130 .4635 .3434 .82 |
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O1 .7141 .3181 .3330 .93 |
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OH2 .5967 .3586 .5529 1.08 |
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O3 .5767 .3814 .2491 .64 |
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O4 .7338 .4125 .4020 .95 |
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O5 .5593 .2842 .1821 .95 |
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OH6 .4143 .3331 .3133 1.00 |
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O7 .4669 .3509 .0081 1.04 |
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O8 .4743 .4465 .0835 .92 |
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OH9 .4606 .4438 .4074 1.07 |
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O10 .6178 .4777 .2659 1.07 |
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OH11 .6977 .2244 .2442 1.78 |
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OH12 .4273 .4178 -.2081 1.02 |
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OH13 .7878 .5048 .3526 1.66 |
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OH14 .2659 .1127 .0541 1.92 |
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Wat15 .4140 .1996 .2065 .96 |
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Biringuccite |
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Corazza E, Menchetti S, Sabelli C |
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American Mineralogist 59 (1974) 1005-1015 |
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The crystal structure of biringuccite, Na4[B10O16(OH)2].2H2O |
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11.1955 6.5607 20.7566 90 93.891 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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Na1 .0582 .5021 .2243 .0027 .0130 .0011 -.0001 -.0002 .0016 |
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Na2 .4394 .1123 .2650 .0032 .0100 .0009 -.0002 .0001 .0009 |
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Na3 .1531 .5519 .0447 .0032 .0181 .0013 .0011 -.0003 -.0013 |
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Na4 .4717 .8478 .0948 .0037 .0117 .0008 -.0010 .0003 -.0004 |
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B1 .2594 .7871 .1648 .0020 .0065 .0004 .0003 .0004 -.0001 |
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B2 .2029 .1443 .1691 .0018 .0039 .0005 .0016 .0000 -.0002 |
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B3 .0419 .8854 .1448 .0012 .0013 .0008 -.0002 .0002 -.0003 |
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B4 .8910 .8321 .0527 .0025 .0022 .0007 .0013 .0001 .0000 |
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B5 .8399 .7129 .1623 .0009 .0026 .0008 -.0001 .0002 .0001 |
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B6 .7034 .0024 .1852 .0016 .0065 .0005 -.0004 .0003 .0001 |
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B7 .7600 .3537 .1740 .0016 .0044 .0007 -.0002 .0004 -.0002 |
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B8 .5473 .2560 .1454 .0012 .0013 .0008 .0001 .0002 .0003 |
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B9 .4216 .3173 .0448 .0017 .0064 .0006 -.0018 .0000 .0001 |
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B10 .3467 .4326 .1491 .0008 .0030 .0009 -.0005 .0002 .0002 |
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O1 .3509 .6534 .1687 .0013 .0032 .0011 .0003 .0000 -.0001 |
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O2 .2911 .9899 .1748 .0018 .0013 .0018 .0001 .0001 -.0003 |
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O3 .2324 .3425 .1675 .0021 .0039 .0009 -.0005 .0002 .0002 |
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O4 .1444 .7376 .1465 .0012 .0062 .0009 .0004 -.0002 -.0004 |
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O5 .0842 .0896 .1657 .0021 .0042 .0012 -.0004 .0002 .0001 |
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O6 .9519 .8115 .1839 .0015 .0033 .0006 -.0004 .0000 -.0001 |
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O7 .9987 .9050 .0757 .0022 .0105 .0008 -.0010 .0001 .0006 |
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O8 .8168 .7285 .0905 .0018 .0104 .0006 -.0007 .0000 .0002 |
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Oh9 .8532 .8572 -.0107 .0026 .0114 .0008 -.0002 .0000 .0002 |
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O10 .8494 .4951 .1792 .0011 .0044 .0010 -.0008 .0001 -.0002 |
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O11 .7349 .8029 .1911 .0021 .0049 .0010 .0007 .0002 .0000 |
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O12 .7901 .1547 .1908 .0023 .0023 .0017 -.0005 .0000 .0003 |
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O13 .5853 .0516 .1735 .0014 .0060 .0009 .0000 -.0001 .0001 |
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O14 .6471 .4022 .1519 .0016 .0069 .0009 -.0010 -.0003 .0006 |
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O15 .4505 .3327 .1795 .0016 .0049 .0006 .0004 .0000 .0001 |
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O16 .5159 .2176 .0761 .0018 .0084 .0007 .0010 -.0002 -.0002 |
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Oh17 .4102 .2959 -.0210 .0022 .0142 .0007 .0011 -.0001 -.0003 |
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O18 .3435 .4285 .0778 .0026 .0087 .0007 .0010 .0001 .0000 |
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OW1 .3087 .8243 .0150 .0048 .0127 .0016 .0015 .0008 .0008 |
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OW2 -.0412 .3782 .0613 .0064 .0137 .0015 .0017 .0011 .0000 |
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H1 .360 .820 -.015 4.0 |
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H2 .280 .970 .010 4.0 |
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H3 -.029 .230 .067 4.0 |
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H4 -.055 .415 .103 4.0 |
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H5 .910 .930 -.035 4.0 |
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H6 .343 .310 -.037 4.0 |
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Baratovite |
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Menchetti S, Sabelli C |
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American Mineralogist 64 (1979) 383-389 |
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The crystal structure of baratovite |
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16.941 9.746 20.907 90 112.50 90 C2/c |
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atom x y z occ Biso |
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Ti .33460 .07052 .25190 .87 .36 |
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Zr .33460 .07052 .25190 .13 .36 |
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Ca1 .22017 -.07256 .51329 .62 |
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Ca2 .14518 .28319 .50695 .64 |
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Ca3 .07260 .63830 .50006 .58 |
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Ca4 0 0 .5 .60 |
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K 0 .07116 .25 2.52 |
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Si1 .61404 .26552 .36061 .46 |
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Si2 .43105 .32388 .36004 .46 |
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Si3 .36923 .63544 .35952 .47 |
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Si4 .49150 .87983 .36058 .46 |
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Si5 .67409 .81512 .35930 .46 |
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Si6 .73852 .50777 .36230 .46 |
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Li1 .5 .0843 .25 .90 |
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Li2 .2465 .3281 .2488 1.00 |
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O1 .65859 .40248 .34516 1.05 |
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O2 .65949 .22375 .44124 .78 |
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O3 .61253 .14422 .30831 .83 |
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O4 .51498 .30992 .34054 .94 |
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O5 .35284 .24005 .30572 .81 |
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O6 .45297 .28340 .43964 .91 |
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O7 .41045 .48836 .35154 1.23 |
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O8 .27384 .65317 .30411 .89 |
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O9 .37909 .65109 .43871 .92 |
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O10 .42732 .74862 .34060 .95 |
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O11 .52081 .92000 .44137 .80 |
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O12 .44899 .00464 .30851 .75 |
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O13 .57291 .82063 .34558 1.07 |
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O14 .72900 .85295 .43888 .89 |
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O15 .69539 .90634 .30421 .81 |
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O16 .69225 .65698 .34453 1.03 |
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O17 .78585 .47590 .31054 .79 |
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O18 .80087 .49875 .44299 .87 |
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F .10199 .06911 .45949 1.14 |
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Klebelsbergite |
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Manchetti S, Sabelli C |
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American Mineralogist 65 (1980) 931-935 |
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The crystal structure of klebelsbergite Sb4O4(OH)2SO4 |
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5.766 11.274 14.887 90 90 90 Pca2_1 |
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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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Sb1 .4789 .3596 .25 0.0059 0.0029 0.0014 0.0005 0.0004 0.0001 |
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Sb2 .3917 .0874 .0914 0.0060 0.0019 0.0009 0.0004 0.0000 0.0000 |
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Sb3 .1526 .4078 .4322 0.0056 0.0020 0.0009 0.0005 -.0002 0.0001 |
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Sb4 .0483 .1412 .2673 0.0071 0.0026 0.0013 0.0008 0.0006 -.0002 |
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S .6780 .2595 .5083 0.0064 0.0034 0.0011 -.0001 -.0007 0.0002 |
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O1 .8525 .2505 .4312 0.0191 0.0065 0.0006 0.0004 0.0015 0.0013 |
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O2 .6400 .3877 .5285 0.0288 0.0017 0.0024 -.0002 -.0032 -.0001 |
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O3 .4627 .2026 .4849 0.0137 0.0149 0.0025 -.0106 0.0002 -.0035 |
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O4 .7742 .2015 .5899 0.0128 0.0125 0.0009 0.0077 0.0015 0.0028 |
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O5 .2856 .4627 .1823 0.0166 0.0020 0.0015 0.0044 0.0001 0.0006 |
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O6 .3077 .2026 .1821 0.0077 0.0026 0.0008 -.0017 0.0022 0.0001 |
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O7 .4238 .4919 .3657 0.0053 0.0061 0.0005 -.0041 0.0013 -.0012 |
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O8 .1178 .0069 .1642 0.0026 0.0018 0.0010 0.0006 -.0013 0.0005 |
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O9 .2723 .0515 .3413 0.0268 0.0036 0.0014 -.0026 -.0058 0.0001 |
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O10 .1994 .3088 .3213 0.0098 0.0016 0.0011 -.0019 0.0021 -.0013 |
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H1 .3010 .5130 .1290 4. |
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H2 .3370 .1010 .3890 4. |
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Peretaite |
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Menchetti S, Sabelli C |
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American Mineralogist 65 (1980) 940-946 |
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Peretaite, CaSb4O4(OH)2(SO4)2*2H2O: Its atomic arrangement and twinning |
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24.665 5.6006 10.185 90 95.98 90 C2/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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Sb1 .29249 .50504 .51525 0.0002 0.0072 0.0023 0.0001 0.0002 0.0016 |
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Sb2 .31537 .05196 .26706 0.0003 0.0048 0.0018 0.0002 0.0002 -.0001 |
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Ca .5 .1856 .25 0.0003 0.0083 0.0022 0 0.0001 0 |
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S .4201 -.0163 .5184 0.0003 0.0083 0.0023 -.0001 0.0001 0.0004 |
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O1 .3600 .0049 .5276 0.0003 0.0253 0.0049 0.0003 0.0003 0.0001 |
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O2 .4296 .0463 .3829 0.0006 0.0142 0.0036 0.0001 0.0004 0.0028 |
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O3 .4511 .1391 .6159 0.0008 0.0121 0.0040 0.0003 -.0003 -.0023 |
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O4 .4378 -.2635 .5487 0.0010 0.0065 0.0033 0.0001 -.0001 0.0007 |
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O5 .4446 .5206 .3043 0.0005 0.0090 0.0039 -.0004 0.0003 -.0005 |
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O6 .2609 .1778 .3871 0.0001 0.0068 0.0018 -.0002 0.0004 -.0001 |
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O7 .2625 .1787 .1146 0.0002 0.0052 0.0011 -.0003 -.0001 0.0003 |
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O8 .3394 .3860 .2667 0.0003 0.0066 0.0041 -.0003 0.0002 0.0001 |
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H1 .450 .600 .210 4. |
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H2 .450 .660 .380 4. |
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H3 .382 .420 .285 4. |
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Campigliaite |
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Sabelli C |
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American Mineralogist 67 (1982) 388-393 |
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Campigliaite, Cu4Mn(SO4)2(OH)6.4H2O, a new mineral from Campiglia Marittima, |
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Tuscany, Italy II. Crystal structure |
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21.707 6.098 11.245 90 100.3 90 C2 |
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atom x y z Biso |
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Cu1 .2488 .528 -.0001 1.39 |
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Cu2 .2590 .780 .25110 1.63 |
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Cu3 .2596 .258 .25540 1.21 |
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Cu4 .2497 .518 .50130 1.36 |
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Mn .5331 .437 .26120 2.41 |
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S1 .1151 .205 .05560 2.59 |
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S2 .3930 .701 .48000 1.20 |
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O1 .306 .023 .187 1.85 |
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O2 .291 .541 .167 1.59 |
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O3 .181 .267 .074 3.06 |
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O4 .195 .736 .061 2.40 |
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O5 .296 .255 .459 2.04 |
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O6 .327 .755 .445 2.63 |
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O7 .219 .026 .311 1.82 |
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O8 .218 .558 .316 1.79 |
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O9 .087 .104 -.0650 4.86 |
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O10 .108 .033 .145 4.34 |
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O11 .083 .416 .069 3.89 |
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O12 .402 .518 .570 8.12 |
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O13 .416 .586 .372 4.58 |
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O14 .423 .914 .520 1.45 |
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O15 .5 .789 .236 2.73 |
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O16 .573 .118 .277 2.68 |
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O17 .471 .158 .356 4.83 |
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O18 .484 .167 .110 5.62 |
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H1 .355 .030 .200 4.00 |
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H2 .333 .557 .135 4.00 |
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H3 .158 .630 .064 4.00 |
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H4 .330 .341 .504 4.00 |
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H5 .182 .028 .256 4.00 |
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H6 .168 .579 .298 4.00 |
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H7 .470 .732 .177 4.00 |
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H8 .472 .726 .280 4.00 |
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H9 .576 .047 .345 4.00 |
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H10 .576 .050 .208 4.00 |
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H11 .453 .077 .410 4.00 |
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H12 .454 .301 .362 4.00 |
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H13 .460 .313 .095 4.00 |
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H14 .452 .083 .050 4.00 |
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Cetineite |
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Sabelli C, Nakai I, Katsura S |
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American Mineralogist 73 (1988) 398-404 |
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Crystal structures of cetineite and its synthetic Na analogue |
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Na3.6(Sb2O3)3(SbS3)(OH)0.6.2.4(H2O) |
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14.2513 14.2513 5.5900 90 90 120 P6_3 |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Sb1A 1/3 2/3 .8736 .5 .00349 .00349 .00492 .00174 0 0 |
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Sb1B 1/3 2/3 .6262 .5 .00216 .00216 .02003 .00108 0 0 |
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Sb2 .16515 .44827 .2507 .00255 .00280 .01490 .00152 .00093 .00027 |
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Sb3 .38670 .40287 .2518 .00243 .00220 .01043 .00133 .00038 .00166 |
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K .1814 .2814 .7471 .80 .00485 .00882 .01802 .00488 .00054 -.00302 |
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S .3620 .5293 .7187 .00349 .00257 .07740 .00182 .00348 -.00174 |
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Na 0 0 .4904 .58 .00181 .00181 .01509 .00090 0 0 |
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O1 .2275 .3513 .2334 .00227 .00293 .01650 .00174 .00288 .00111 |
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O2 .0646 .3541 .5020 .00279 .00340 .00314 .00123 .00286 .00161 |
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O3 .0595 .3589 -.0002 .00491 .00338 .03122 .00230 -.00128 .00195 |
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OH .0920 .1401 .2230 .94 .01421 .00739 .03514 -.00138 .01246 .00876 |
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|
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Cetineite |
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Sabelli C, Nakai I, Katsura S |
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American Mineralogist 73 (1988) 398-404 |
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Crystal structures of cetineite and its synthetic Na analogue |
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Na3.6(Sb2O3)3(SbS3)(OH)0.6.2.4(H2O) |
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Sample: Synthetic Na analogue |
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14.152 14.152 5.5758 90 90 120 P6_3 |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Sb1A 1/3 2/3 .8736 .5 .00194 .00194 .00722 .00097 0 0 |
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Sb1B 1/3 2/3 .6263 .5 .00592 .00592 .02007 .00296 0 0 |
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Sb2 .16383 .44662 .2475 .00298 .00345 .01935 .00186 .00164 .00011 |
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Sb3 .38448 .40157 .2471 .00319 .00301 .01274 .00200 .00007 -.00007 |
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Na1 .1921 .3000 .7602 .00614 .00561 .03666 .00228 .00139 .00216 |
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S .3575 .5267 .6967 .00468 .00346 .04055 .00243 .00214 -.00012 |
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Na2 0 0 .5149 .61 .00291 .00291 .01243 .00146 0 0 |
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O1 .2252 .3495 .2479 .00340 .00396 .02937 .00228 -.00477 .00120 |
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O2 .0606 .3522 .4958 .00649 .00407 .01062 .00231 .00250 .00097 |
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O3 .0630 .3537 .9907 .00250 .00738 .03037 .00238 -.00414 .00137 |
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OH1 .1301 .1148 .2756 .52 .00624 .01010 .01862 .00301 -.00204 -.00359 |
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OH2 .1353 .1052 .7127 .48 .00726 .00484 .01635 .00174 .00311 .00215 |
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|
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Hydroboracite |
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Sabelli C, Stoppioni A |
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The Canadian Mineralogist 16 (1978) 75-80 |
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Refinement of the crystal structure of hydroboracite |
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11.769 6.684 8.235 90 102.59 90 P2/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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Mg 0 0 0 .75 .00123 .00363 .00383 -.00062 .00062 -.00016 |
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Ca .5 .47388 .25 .52 .00078 .00359 .00224 0 .00064 0 |
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OW1 0 .1238 .25 1.01 .00176 .00605 .00439 0 .00121 0 |
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OW2 .0504 .2772 .5966 1.37 .00224 .00619 .00750 .00049 .00162 .00080 |
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Oh3 .1667 .9061 .5359 .99 .00154 .00584 .00482 -.00075 .00132 -.00211 |
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O4 .1910 .3419 .2468 .80 .00163 .00513 .00297 -.00074 .00131 -.00048 |
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O5 .1758 .5515 .4678 .89 .00149 .00603 .00351 .00069 .00116 .00134 |
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O6 .3487 .7299 .6052 .80 .00135 .00541 .00298 -.00019 .00073 .00015 |
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O7 .3266 .6114 .3209 .87 .00140 .00570 .00366 -.00065 .00113 -.00109 |
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Oh8 .3544 .9672 .3936 1.16 .00262 .00534 .00433 -.00021 .00067 .00145 |
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Oh9 .5093 .7160 .4717 .97 .00144 .00524 .00496 -.00072 .00096 -.00124 |
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B1 .2251 .7125 .5912 .66 .00131 .00408 .00217 -.00024 .00036 .00004 |
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B2 .3848 .7614 .4480 .69 .00120 .00397 .00298 -.00012 .00070 -.00015 |
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B3 .2325 .5039 .3436 .63 .00111 .00438 .00205 .00054 .00041 .00071 |
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H1 .064 .197 .249 4.5 |
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H2 .092 .370 .554 4.5 |
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H3 -.025 .335 .575 4.5 |
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H4 .230 .927 .489 4.5 |
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H5 .353 .069 .298 4.5 |
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H6 .446 .179 .483 4.5 |
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|
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Rosenbergite |
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Olmi F, Sabelli C, Trosti-Ferroni R |
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European Journal of Mineralogy 5 (1993) 1167-1174 |
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Rosenbergite, AlF[F0.5(H2O)0.5}4.H2O, a new mineral from the |
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Cetine mine (Tuscany, Italy): description and crystal structure |
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Locality: Cetine mine, Tuscany, Italy |
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7.715 7.715 3.648 90 90 90 *P4/n |
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.25 -.25 0 |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Al 1/4 1/4 .1396 .88 .00404 .00404 .01336 0 0 0 |
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F 1/4 1/4 .6384 1.98 .01099 .01099 .01328 0 0 0 |
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O1 3/4 1/4 1/2 1.41 .00537 .00537 .03145 0 0 0 |
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O2 .4652 .3484 .1366 .5 1.91 .00553 .00776 .04833 -.00145 -.00312 .00692 |
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F2 .4652 .3484 .1366 .5 1.91 .00553 .00776 .04833 -.00145 -.00312 .00692 |
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H1 .655 .283 .379 .5 3.00 |
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H2 .488 .449 .046 .5 3.00 |
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H3 .560 .315 .258 .5 3.00 |
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Brizziite |
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Olmi F, Sabelli C |
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European Journal of Mineralogy 6 (1994) 667-672 |
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Brizzite, NaSbO3, a new mineral from the Cetine mine (Tuscany, Italy): |
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description and crystal structure |
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Locality: Cetine mine, Tuscany, Italy |
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5.301 5.301 15.932 90 90 120 R-3 |
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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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Na 0 0 .6391 1.15 .0134 .0134 .0012 .0067 0 0 |
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Sb 0 0 .83904 .39 .0034 .0034 .0006 .0017 0 0 |
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O .0461 .3236 .7638 .56 .0078 .0062 .0004 .0029 -.0004 -.0001 |
|
|
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Sabelliite |
|
Olmi F, Sabelli C, Trosti-Ferroni R |
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European Journal of Mineralogy 7 (1995) 1331-1337 |
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The crystal structure of sabelliite |
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8.197 8.197 7.312 90 90 120 P-3 |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Cu .4253 .2904 .0180 .93 .0047 .0029 .0060 .0021 .0009 .0002 |
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Zn1 0 0 0 .64 .45 .0019 .0019 .0028 .0009 0 0 |
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Zn2 .2314 .0033 .4086 .37 1.17 .0055 .0062 .0054 .0031 .0010 .0006 |
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As 2/3 1/3 .4487 1.73 .0093 .0093 .0067 .0046 0 0 |
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As 0 0 .2348 .20 1.12 .0049 .0049 .0065 .0024 0 0 |
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Sb 0 0 .2348 .21 1.12 .0049 .0049 .0065 .0024 0 0 |
|
O1 .3693 .4820 .1103 .88 .0041 .0043 .0051 .0027 .0001 -.0003 |
|
O2 .2330 .0727 .1644 1.81 .0089 .0060 .0108 .0032 .0042 .0009 |
|
O3 .2613 .4496 .4650 2.30 .0164 .0082 .0090 .0060 .0021 -.0010 |
|
O4 0 0 1/2 2.00 .0079 .0079 .0130 .0040 0 0 |
|
O5 2/3 1/3 .2235 1.68 .0095 .0095 .0056 .0047 0 0 |
|
H .350 .470 .220 3.30 |
|
|
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|
| |
|
Serpierite |
|
Sabelli C, Zanazzi P F |
 |
Acta Crystallographica B24 (1968) 1214-1221 |
|
The crystal structure of serpierite |
|
Locality: Laurion mine, Greece |
|
22.186 6.250 21.853 90 113.36 90 C2/c |
|
atom x y z occ Biso |
|
Ca .2423 .9153 .1479 1.40 |
|
Cu1 .0010 .2572 .0029 .66 1.72 |
|
Zn1 .0010 .2572 .0029 .34 1.72 |
|
Cu2 .9957 .0042 .1241 .66 1.97 |
|
Zn2 .9957 .0042 .1241 .34 1.97 |
|
Cu3 .9966 .5064 .1240 .66 1.92 |
|
Zn3 .9966 .5064 .1240 .34 1.92 |
|
Cu4 0 .7561 .25 .66 1.70 |
|
Zn4 0 .7561 .25 .34 1.70 |
|
Cu5 0 .2577 .25 .66 2.05 |
|
Zn5 0 .2577 .25 .34 2.05 |
|
S1 .1503 .1958 .2269 1.29 |
|
S2 .3526 .3027 .0102 1.48 |
|
O1 .3292 .6310 .2020 1.84 |
|
O2 .1624 .0110 .1895 2.60 |
|
O3 .0811 .2515 .1975 2.87 |
|
O4 .1936 .3708 .2303 2.73 |
|
O5 .4237 .2728 .0402 2.01 |
|
O6 .1627 .0508 .0518 2.46 |
|
O7 .1808 .3942 .0080 3.85 |
|
O8 .3338 .4190 .0593 2.95 |
|
Wat9 .1836 .5968 .1197 1.81 |
|
Wat10 .2984 .8222 .0762 3.41 |
|
Wat11 .3087 .2242 .1578 3.58 |
|
OH12 .0405 -.0034 .0646 1.19 |
|
OH13 .0424 .5158 .0633 .95 |
|
OH14 .0418 .7663 .1780 1.61 |
|
OH15 .4512 .7723 .0735 1.74 |
|
OH16 .4555 .5220 .1892 1.37 |
|
OH17 .4543 -.0062 .1890 1.39 |
|
|
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|
| |
|
Devilline |
|
Sabelli C, Zanazzi P F |
|
Acta Crystallographica B28 (1972) 1182-1189 |
|
The crystal structure of devillite |
|
Locality: Herrengrund, Hungary |
|
Note: z-coordinate of Cu7 altered to match reported bond lengths |
|
20.870 6.135 22.191 90 102.73 90 P2_1/c |
|
atom x y z Biso |
|
Ca1 .0071 .3314 .1502 1.18 |
|
Ca2 .5105 .6670 .1506 1.36 |
|
Cu1 .2469 .4984 .0002 1.90 |
|
Cu2 .2542 .0018 .0024 1.92 |
|
Cu3 .2560 .7578 .1242 1.91 |
|
Cu4 .2591 .2546 .1258 2.05 |
|
Cu5 .2500 .5199 .2515 1.67 |
|
Cu6 .2500 .0211 .2482 1.80 |
|
Cu7 .2436 .2538 .3741 2.05 |
|
Cu8 .2458 .7592 .3736 2.06 |
|
S1 .1060 .0610 .0533 1.25 |
|
S2 .0957 .0302 .2854 1.17 |
|
S3 .4031 .4617 .2125 1.27 |
|
S4 .3947 .4365 .4463 1.27 |
|
O1 .0834 .3430 .4909 1.13 |
|
O2 .0595 .8672 .0548 2.11 |
|
O3 .0896 .2196 .1000 1.49 |
|
O4 .1754 .0145 .0660 1.80 |
|
O5 .0818 .1802 .2323 1.69 |
|
O6 .0596 .8447 .2672 4.77 |
|
O7 .0681 .1160 .3375 2.72 |
|
O8 .1672 .9968 .3065 2.14 |
|
O9 .4285 .3744 .1624 2.20 |
|
O10 .3328 .4906 .1938 1.94 |
|
O11 .4126 .2968 .2652 4.25 |
|
O12 .4341 .6925 .2267 1.55 |
|
O13 .4060 .2721 .3993 3.86 |
|
O14 .3232 .4816 .4298 1.86 |
|
O15 .4059 .1762 .0085 2.16 |
|
O16 .4254 .6517 .4461 2.03 |
|
OH17 .2923 .7416 .0494 1.37 |
|
OH18 .2914 .2505 .0522 1.11 |
|
OH19 .2079 .4898 .0873 1.10 |
|
OH20 .3058 -.0023 .1631 1.37 |
|
OH21 .2132 .7444 .1956 .87 |
|
OH22 .2128 .2519 .1959 1.63 |
|
OH23 .2923 .7667 .3046 2.71 |
|
OH24 .2889 .2454 .3054 1.27 |
|
OH25 .1966 .5134 .3353 2.70 |
|
OH26 .2941 .9898 .4145 3.32 |
|
OH27 .2030 .7321 .4482 1.68 |
|
OH28 .2020 .2597 .4500 2.06 |
|
Wat29 .0701 .6567 .1610 .76 |
|
Wat30 .0577 .5324 .3773 2.53 |
|
Wat31 .0448 .9112 .4530 2.34 |
|
Wat32 .4403 .5932 .0441 3.43 |
|
Wat33 .4501 .9931 .1190 2.66 |
|
Wat34 .4213 .8496 .3373 .76 |
|
|
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|
| |
|
Nasinite |
|
Corazza E, Menchetti S, Sabelli C |
|
Acta Crystallographica B31 (1975) 2405-2410 |
|
The crystal structure of nasinite, Na2[B5O8(OH)]*2H2O |
|
Locality: synthetic |
|
12.015 6.518 11.173 90 90 90 Pna2_1 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na1 .4715 .6484 .5 2.56 .00403 .01403 .00595 .00102 .00174 .00192 |
|
Na2 .2465 .4734 .1767 2.15 .00411 .01066 .00453 .00056 -.00042 .00012 |
|
B1 .2165 .4839 .5064 .82 .00164 .00388 .00172 -.00014 -.00024 -.00011 |
|
B2 .1568 .1485 .4217 .89 .00202 .00419 .00156 .00024 .00001 -.00007 |
|
B3 .0191 .3792 .5162 1.12 .00190 .00652 .00231 .00014 .00010 -.00026 |
|
B4 .2034 .0372 .2135 .80 .00111 .00468 .00195 -.00002 -.00009 .00016 |
|
B5 .2141 -.2086 .3723 .91 .00173 .00531 .00169 .00015 -.00016 .00015 |
|
O1 .0998 .5155 .5492 1.22 .00174 .00589 .00332 -.00026 .00029 -.00182 |
|
O2 .2931 .5794 .5942 1.05 .00235 .00524 .00179 -.00091 -.00038 .00024 |
|
O3 .1663 .1812 .2904 1.22 .00359 .00478 .00154 .00115 -.00007 .00011 |
|
O4 .0399 .2024 .4553 1.24 .00170 .00652 .00327 -.00024 .00018 -.00143 |
|
O5 .2364 .2664 .4892 .94 .00170 .00381 .00241 .00008 -.00034 -.00006 |
|
O6 .2354 -.4080 .3933 1.18 .00340 .00446 .00166 .00067 .00018 .00000 |
|
O7 .1723 -.0715 .4511 1.07 .00291 .00386 .00177 .0004 .00024 .00017 |
|
Oh8 -.0867 .4314 .5511 2.54 .00172 .01406 .00847 -.00057 .00074 -.00697 |
|
O9 .2384 -.1528 .2542 1.57 .00470 .00602 .00192 .00223 .00097 .00091 |
|
Ow1 .5715 .6639 .7026 2.86 .00466 .01706 .00601 .00089 .00200 .00288 |
|
Ow2 .4772 .7935 .3045 4.74 .00427 .04958 .00668 -.00078 -.00055 .00798 |
|
H1 -.133 .362 .533 2.5 |
|
H2 .569 .791 .666 8.5 |
|
H3 .532 .663 .757 6.0 |
|
H4 .418 .786 .271 7.8 |
|
H5 .524 .828 .264 9.1 |
|
|
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|
| |
|
Stenhuggarite |
|
Coda A, Dal Negro A, Sabelli C, Tazzoli V |
|
Acta Crystallographica B33 (1977) 1807-1811 |
|
The crystal structure of stenhuggarite |
|
16.144 16.144 10.706 90 90 90 *I4_1/a |
|
0 .25 .125 |
|
atom x y z Biso |
|
Ca .3493 .4388 -.4768 .48 |
|
Fe .2373 .2575 -.4916 .41 |
|
Sb .32658 .42697 .01620 .70 |
|
As1 .3850 .2981 -.2615 .56 |
|
As2 .3973 .3146 -.7039 .41 |
|
O1 .3272 .3154 -.1225 1.08 |
|
O2 .2527 .4845 -.1007 .59 |
|
O3 .2468 .3448 .0806 .82 |
|
O4 .3049 .3100 -.3738 .96 |
|
O5 .3020 .3283 -.6317 .70 |
|
O6 .4201 .4008 -.2883 1.13 |
|
O7 .4544 .3389 -.5612 .82 |
|
|
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|
| |
|
Aluminite |
|
Sabelli C, Ferroni R T |
|
Acta Crystallographica B34 (1978) 2407-2412 |
|
The crystal structure of aluminite |
|
Note: anisotropic displacement factors from ICSD |
|
7.440 15.583 11.700 90 110.18 90 P2_1/c |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
S .70076 .37376 .93018 1.28 .00784 .00127 .00209 -.00045 -.00007 .00110 |
|
Al1 .65581 .45332 .47633 .97 .00452 .00095 .00212 .00001 -.00003 .00091 |
|
Al2 .07306 .46600 .62873 .96 .00529 .00093 .00172 -.00004 -.00004 .00048 |
|
O1 .7166 .2878 .8897 2.73 .02395 .00149 .00591 -.00166 -.00114 .00744 |
|
O2 .5012 .3905 .9217 2.48 .00687 .00418 .00403 -.00014 -.00028 .00143 |
|
O3 .7539 .4342 .8525 2.13 .01272 .00198 .00453 -.00062 .00097 .00352 |
|
O4 .8284 .3836 .0584 2.11 .01114 .00218 .00267 -.00008 -.00024 -.00116 |
|
Oh5 .8713 .5403 .5230 .98 .00562 .00080 .00231 .00057 -.00002 .00145 |
|
Oh6 .7393 .4539 .3423 1.21 .00628 .00123 .00239 -.00071 -.00048 .00112 |
|
Oh7 .8684 .3947 .5778 1.19 .00651 .00077 .00296 -.00009 .00000 .00103 |
|
Oh8 .4451 .5226 .4023 1.22 .00673 .00143 .00207 .00098 .00043 .00152 |
|
Ow9 .5257 .3487 .4235 1.87 .00923 .00125 .00542 -.00064 -.00070 .00261 |
|
Ow10 .2421 .3758 .7019 1.78 .00937 .00135 .00338 .00028 .00028 -.00036 |
|
Ow11 .0346 .4930 .7774 1.86 .01199 .00219 .00303 -.00190 -.00082 .00353 |
|
O12 .8517 .2530 .7101 2.48 .01887 .00187 .00463 .00027 .00003 .00460 |
|
O13 .1782 .2181 .6079 2.73 .01241 .00196 .00763 .00043 -.00046 .00266 |
|
O14 .1737 .3019 .4012 2.31 .01266 .00185 .00586 -.00123 -.00077 .00359 |
|
O15 .4317 .4095 .1035 2.19 .01450 .00223 .00321 -.00034 -.00049 .00242 |
|
H1 .852 .588 .554 5.0 |
|
H2 .658 .440 .283 5.0 |
|
H3 .857 .350 .608 5.0 |
|
H4 .408 .541 .342 5.0 |
|
H5 .400 .334 .410 5.0 |
|
H6 .581 .298 .409 5.0 |
|
H7 .197 .319 .680 5.0 |
|
H8 .327 .378 .780 5.0 |
|
H9 .936 .472 .802 5.0 |
|
H10 .100 .533 .831 5.0 |
|
H11 .794 .263 .775 5.0 |
|
H12 .780 .218 .661 5.0 |
|
H13 .506 .185 .594 5.0 |
|
H14 .268 .181 .621 5.0 |
|
H15 .071 .279 .331 5.0 |
|
H16 .156 .275 .467 5.0 |
|
H17 .458 .405 .061 5.0 |
|
H18 .370 .466 .130 5.0 |
|
|
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|
| |
|
Probertite |
|
Menchetti S, Sabelli C, Trosti-Ferroni R |
|
Acta Crystallographica B38 (1982) 3072-3075 |
|
Probertite, CaNa[B5O7(OH)4]*3H2O: a refinement |
|
6.588 12.560 13.428 90 99.97 90 P2_1/c |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .34825 .58776 .09502 .67 .00371 .00106 .00097 .00017 .00010 -.00005 |
|
Na .12101 .49557 .32427 1.95 .01091 .00313 .00258 -.00141 -.00096 .00014 |
|
B1 .3383 .2414 -.0514 .93 .00333 .00160 .00166 .00012 .00008 -.00027 |
|
B2 .5012 .3576 .1030 .84 .00321 .00161 .00141 .00004 .00062 .00008 |
|
B3 .1207 .3486 .0448 .86 .00402 .00160 .00127 -.00032 .00024 .00034 |
|
B4 .8535 .4396 .1327 .83 .00304 .00161 .00137 .00005 .00022 .00010 |
|
B5 .7554 .3092 .2542 .93 .00520 .00142 .00139 .00022 .00021 -.00012 |
|
O3 .1431 .2618 -.0147 .98 .00231 .00202 .00179 -.00029 .00031 -.00051 |
|
O4 .5135 .2866 .0180 .99 .00361 .00189 .00162 .00007 .00018 -.00063 |
|
O5 .2887 .3994 .0986 .93 .00237 .00187 .00170 .00011 .00024 -.00038 |
|
O6 .6299 .4526 .0999 .74 .00263 .00121 .00141 .00000 .00024 .00007 |
|
O7 .5612 .2979 .1991 1.11 .00450 .00212 .00163 -.00073 -.00022 .00064 |
|
O8 .9254 .3805 .0490 .93 .00216 .00227 .00141 -.00002 .00020 -.00035 |
|
O9 .9003 .3738 .2267 1.04 .00409 .00216 .00143 -.00055 -.00023 .00054 |
|
O10 .7956 .2486 .3412 1.36 .00499 .00281 .00185 -.00079 -.00098 .00089 |
|
O11 .9633 .5398 .1521 1.06 .00431 .00125 .00232 -.00028 .00026 -.00011 |
|
O12 .4330 .5700 .2789 1.65 .00828 .00289 .00235 .00038 .00013 .00015 |
|
O13 .7867 .5057 .4092 2.55 .01491 .00459 .00291 .00160 -.00039 -.00045 |
|
O14 .1737 .6419 .4357 2.16 .01035 .00242 .00466 -.00081 .00163 -.00083 |
|
Oh1 .3323 .2970 -.1491 1.26 .00806 .00219 .00151 .00063 .00065 -.00017 |
|
Oh2 .3497 .1257 -.0627 1.42 .00657 .00169 .00291 .00043 .00044 -.00064 |
|
H1 .346 .256 -.199 3.6 |
|
H2 .466 .105 -.067 5.0 |
|
H3 .902 .255 .372 2.6 |
|
H4 .882 .597 .161 3.7 |
|
H5 .461 .643 .292 5.7 |
|
H6 .536 .543 .304 4.7 |
|
H7 .798 .447 .450 4.4 |
|
H8 .755 .555 .455 5.4 |
|
H9 .070 .675 .448 8.7 |
|
H10 .259 .692 .446 6.3 |
|
|
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|
| |
|
Onoratoite |
|
Menchetti S, Sabelli C, Trosti-Ferroni R |
|
Acta Crystallographica C40 (1984) 1506-1510 |
|
The structures of onoratoite, Sb8O11Cl2 and Sb8O11Cl2*6H2O |
|
Locality: synthetic |
|
Note: anisoB's from ICSD, corrected |
|
19.047 4.0530 10.318 90 110.25 90 C2/m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Sb1 .27181 0 .1737 2.34 .0008 .0552 .0053 0 .0001 0 |
|
Sb2 -.00472 .5 .3005 2.03 .0016 .0323 .0062 0 .0019 0 |
|
Sb3 .08770 0 -.0103 1.71 .0014 .0193 .0068 0 .0019 0 |
|
Sb4 .18592 .5 .3551 1.66 .0014 .0193 .0063 0 .0020 0 |
|
O1 .229 .5 .202 .84 3.68 .0040 .055 .005 0 .0011 0 |
|
O2 -.035 0 .219 .89 4.56 .0021 .130 .0064 0 .0012 0 |
|
O3 .074 .5 -.101 .72 3.17 .0024 .071 .0058 0 .0020 0 |
|
O4 .198 0 .284 .82 4.29 .0025 .0027 .0263 0 .0038 0 |
|
O5 .192 0 -.012 1.51 .0016 .0113 .0040 0 .0004 0 |
|
O6 .082 .5 .240 2.13 .0021 .038 .0052 0 .0025 0 |
|
Cl .1158 0 .5199 3.88 .0044 .0508 .0105 0 .0046 0 |
|
|
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|
| |
|
Sb8O11Cl2*6H2O |
| |
Menchetti S, Sabelli C, Trosti-Ferroni R |
|
Acta Crystallographica C40 (1984) 1506-1510 |
|
The structures of onoratoite, Sb8O11Cl2 and Sb8O11Cl2*6H2O |
|
Note: anisoB's from ICSD |
|
9.618 13.148 4.078 90 90 90 Immm |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Sb .18377 .15356 0 2.47 .0044 .0047 .0377 .0004 0 0 |
|
O1 .2798 .2914 0 .88 4.13 .0055 .0050 .103 -.0004 0 0 |
|
O2 0 .2178 0 2.33 .0038 .0057 .0253 0 0 0 |
|
Cl .5 .5 0 4.46 .0167 .0054 .0519 0 0 0 |
|
Wat3 0 .399 .364 .50 13.97 .0375 .0294 .116 0 0 -.025 |
|
Wat4 0 .431 0 .51 14.98 .0239 .0226 .308 0 0 0 |
|
|
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|
| |
|
Syngenite |
|
Corazza E, Sabelli C |
|
Zeitschrift fur Kristallographie 124 (1967) 398-408 |
|
The crystal structure of syngenite, K2Ca(SO4)2*(H2O) |
|
Locality: Kalasz, Galicia |
|
9.77 7.15 6.25 90 104.0 90 P2_1/m |
|
atom x y z Biso |
|
K .3357 .0068 .1947 1.35 |
|
Ca .9679 .25 .3327 .47 |
|
S1 .9897 .25 .8396 .38 |
|
S2 .6373 .25 .2697 .66 |
|
O1 .1191 .25 .0167 1.26 |
|
O2 .2244 .25 .5015 1.05 |
|
O3 .5322 .25 .0586 1.12 |
|
O4 .5650 .25 .4493 1.49 |
|
O5 .7296 .0842 .2837 1.47 |
|
O6 .8687 .25 .9421 1.20 |
|
O7 .9813 .0840 .6959 .89 |
|
H .243 .354 .597 5 |
|
|
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|
| |
|
Chalcophyllite |
|
Sabelli C |
|
Zeitschrift fur Kristallographie 151 (1980) 129-140 |
|
The crystal structure of chalcophyllite |
|
Locality: Cornwall, England |
|
10.756 10.756 28.6780 90 90 120 R-3 |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Cu1 .5 .5 .5 .89 .00041 .00007 .00073 -.00011 .00014 .00002 |
|
Cu2 .33719 .17841 .50598 .79 .00036 .00004 .00068 .00007 .00018 .00000 |
|
Al 0 0 .5 .62 .00002 .00002 .00057 .00001 0 0 |
|
As 2/3 1/3 .46011 1.49 .00228 .00228 .00087 .00114 0 0 |
|
S 1/3 2/3 .3257 .75 1.90 .00498 .00498 .00068 .00249 0 0 |
|
Oh1 .3246 .3481 .5278 .73 .00147 .00149 .00036 .00077 -.00016 -.00002 |
|
O2 .5218 .3333 .4822 1.42 .00127 .00030 .00106 -.00011 .00015 -.00001 |
|
Ow3 .3467 .4588 .4334 2.33 .00626 .00538 .00087 .00278 -.00009 .00018 |
|
Oh4 .1296 .1620 .4639 .87 .00100 .00119 .00057 .00057 .00014 -.00001 |
|
O5 2/3 1/3 .4037 2.33 .00541 .00541 .00098 .00270 0 0 |
|
O6 1/3 2/3 .3763 .75 4.17 .0110 .0110 .00148 .0055 0 0 |
|
O7 .2253 .5253 .3081 .75 4.65 .0095 .0108 .00171 .0022 -.00071 -.00152 |
|
Ow8 .3324 .3563 .2876 5.94 .0261 .0195 .00098 .0140 -.00079 -.00040 |
|
Ow9 .4137 .3088 .3727 5.01 .0149 .0182 .00156 .0117 -.00188 -.00129 |
|
H1 .330 .352 .558 4 |
|
H2 .123 .151 .432 4 |
|
H3 .343 .528 .415 4 |
|
H4 .365 .415 .405 4 |
|
H5 .303 .413 .289 4 |
|
H6 .420 .398 .306 4 |
|
H7 .312 .252 .368 4 |
|
H8 .506 .317 .378 4 |
|
|
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|
| |
|
Jurbanite |
|
Sabelli C |
|
Zeitschrift fur Kristallographie 173 (1985) 33-39 |
|
Refinement of the crystal structure of jurbanite, Al(SO4)(OH)*5H2O |
|
Locality: Cetine mine, Tuscany, Italy |
|
8.3965 12.479 8.1549 90 101.917 90 P2_1/n |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Al .1158 .5106 .1536 1.26 .00425 .00167 .00592 .00051 .00033 .00015 |
|
S .1358 .8151 .7866 1.38 .00397 .00211 .00666 -.00006 .00046 .00035 |
|
O6 .1899 .7123 .7249 2.28 .0056 .0022 .0151 -.0008 .0008 -.0024 |
|
O7 .0789 .8842 .6395 2.54 .0071 .0038 .0127 .0022 .0008 .0048 |
|
O8 .2773 .8675 .8968 2.07 .0049 .0036 .0096 -.0029 -.0006 -.0005 |
|
O9 .0069 .8000 .8784 1.91 .0043 .0032 .0107 .0012 .0031 .0021 |
|
Oh1 .0325 .4075 -.0042 1.33 .0042 .0006 .0091 -.0002 .0000 -.0001 |
|
Ow2 .2569 .4175 .3003 2.32 .0059 .0046 .0095 .0039 .0008 .0016 |
|
Ow3 .1932 .6288 .2916 2.28 .0062 .0021 .0146 .0003 .0007 -.0023 |
|
Ow4 -.0346 .4814 .2929 1.57 .0049 .0016 .0101 -.0006 .0028 -.0006 |
|
Ow5 .2890 .5316 .0367 1.40 .0031 .0023 .0081 -.0007 .0022 -.0009 |
|
Ow10 .0223 .8027 .3143 2.54 .0063 .0027 .0168 -.0017 .0027 -.0026 |
|
H1 .001 .345 .013 4 |
|
H21 .238 .400 .410 4 |
|
H22 .354 .383 .290 4 |
|
H31 .136 .688 .310 4 |
|
H32 .299 .643 .354 4 |
|
H41 -.100 .520 .355 4 |
|
H42 -.090 .410 .285 4 |
|
H51 .395 .557 .080 4 |
|
H52 .320 .478 -.040 4 |
|
H101 -.097 .800 .290 4 |
|
H102 .045 .818 .424 4 |
|
|
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|
| |
|
Ferrierite-Mg |
| |
Alberti A, Sabelli C |
|
Zeitschrift fur Kristallographie 178 (1987) 249-256 |
|
Statistical and true symmetry of ferrierite: |
|
possible absence of straight T-O-T bridging bonds |
|
Locality: Monastir, Sardinia, Italy |
|
19.2310 14.145 7.499 90 90 90 Immm |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K .4254 0 0 .41 5.8 .060 .057 .102 0 0 0 |
|
Mg 0 0 .5 2.8 .035 .053 .019 0 0 0 |
|
Si1 .1550 0 0 .88 1.3 .024 .014 .013 0 0 0 |
|
Al1 .1550 0 0 .12 1.3 .024 .014 .013 0 0 0 |
|
Si2 .0838 .2023 0 .69 1.1 .020 .013 .009 -.002 0 0 |
|
Al2 .0838 .2023 0 .31 1.1 .020 .013 .009 -.002 0 0 |
|
Si3 .2715 0 .2922 .88 1.6 .030 .019 .013 0 -.001 0 |
|
Al3 .2715 0 .2922 .12 1.6 .030 .019 .013 0 -.001 0 |
|
Si4 .3231 .2026 .2069 .96 1.2 .023 .017 .005 .000 -.001 -.001 |
|
Al4 .3231 .2026 .2069 .04 1.2 .023 .017 .005 .000 -.001 -.001 |
|
O1 0 .2158 0 2.6 .022 .037 .039 0 0 0 |
|
O2 .2495 0 .5 2.9 .068 .034 .008 0 0 0 |
|
O3 .1029 .0892 0 4.0 .044 .030 .078 .010 0 0 |
|
O4 .2019 0 .1777 4.8 .045 .098 .037 0 -.021 0 |
|
O5 .25 .25 .25 4.0 .046 .051 .055 .021 .001 -.004 |
|
O6 .1564 .2813 .5 3.2 .063 .058 .000 -.015 0 0 |
|
O7 .1151 .2505 .1822 3.0 .042 .071 .025 -.009 -.011 -.028 |
|
O8 .3209 .0912 .2470 3.5 .062 .024 .051 .000 .012 -.013 |
|
Wat1 0 0 .2351 3.4 .039 .071 .020 0 0 0 |
|
Wat2 .0982 .0668 .5 .5 5.1 .040 .131 .022 -.031 0 0 |
|
Wat3 .0458 .1329 .5 .5 10.5 .210 .137 .050 -.141 0 0 |
|
Wat4 0 .4212 .2071 .5 25.5 .180 .320 .469 0 0 -.275 |
|
Wat5 0 .6568 .3670 .5 16.6 .030 .309 .291 0 0 .201 |
|
Wat6 .0538 .5 .2564 .39 5.8 .036 .067 .117 0 -.019 0 |
|
|
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|
| |
|
Alunite |
|
Menchetti S, Sabelli C |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1976 (1976) 406-417 |
|
Crystal chemistry of the alunite series: crystal structure refinement of alunite |
|
and synthetic jarosite |
|
Note: none of the reported bond lengths can be reproduced |
|
Locality: Montioni, Toscana, Italy |
|
7.020 7.020 17.223 90 90 120 R-3m |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
K 0 0 0 .97 .00742 .00742 .00061 .00371 0 0 |
|
Al 0 .5 .5 .38 .00181 .00228 .00043 .00091 -.00005 -.00002 |
|
S 0 0 .30290 .47 .00328 .00328 .00037 .00164 0 0 |
|
O1 0 0 .38715 .70 .00599 .00599 .00029 .00299 0 0 |
|
O2 .21788 -.21788 -.05998 .60 .00525 .00525 .00045 .00406 -.00011 .00011 |
|
Oh .12587 -.12587 .14256 .55 .00273 .00273 .00065 .00106 .00023 -.00023 |
|
H .174 -.174 .120 1.34 |
|
|
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View JMOL 3-D Structure
|
| |
|
Jarosite |
|
Menchetti S, Sabelli C |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1976 (1976) 406-417 |
|
Crystal chemistry of the alunite series: crystal structure refinement of alunite |
|
and synthetic jarosite |
|
Note: none of the reported bond lengths can be reproduced |
|
Locality: synthetic |
|
7.315 7.315 17.224 90 90 120 R-3m |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
K 0 0 0 1.98 .01478 .01478 .00102 .00739 0 0 |
|
Fe 0 .5 .5 1.32 .00844 .00875 .00102 .00422 -.00004 -.00002 |
|
S 0 0 .30883 1.23 .00873 .00873 .00075 .00437 0 0 |
|
O1 0 0 .39356 1.25 .01011 .01011 .00043 .00506 0 0 |
|
O2 .22338 -.22338 -.05448 1.49 .01176 .01176 .00114 .00884 -.00044 .00044 |
|
Oh .12682 -.12682 .13573 1.46 .00900 .00900 .00114 .00381 .00009 -.00009 |
|
H .169 -.169 .106 8.95 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Karlite |
|
Bonazzi P, Menchetti S, Sabelli C, Trosti-Ferroni R |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1986 (1986) 253-262 |
|
Karlite: crystal structure and chemical composition |
|
Locality: Tauern Window, Schleigeistal, Zillertaler, Alpen, Austria |
|
17.6370 17.967 3.1040 90 90 90 P2_12_12 |
|
atom x y z occ Biso |
|
Mg1 .4259 .1984 .999 .6 .53 |
|
Al1 .4259 .1984 .999 .3 .53 |
|
Fe2+1 .4259 .1984 .999 .033 .53 |
|
Fe3+1 .4259 .1984 .999 .067 .53 |
|
Mg2 .2985 .1089 .498 .29 |
|
Mg3 .3596 .3601 .447 .71 |
|
Mg4 .1265 .1430 .956 .47 |
|
Mg5 .2295 .4303 .960 .48 |
|
Mg6 .1108 .2929 .470 .52 |
|
Mg7 0 0 .230 .9 .89 |
|
Fe7 0 0 .230 .1 .89 |
|
B1 .2582 .2555 .968 .46 |
|
B2 .1527 .0245 .585 .66 |
|
B3 .4869 .3275 .602 .51 |
|
O2 .3045 .1938 .003 .88 |
|
O3 .1797 .2472 .954 .30 |
|
O4 .2915 .3271 .953 .31 |
|
O6 .0643 .1852 .445 .52 |
|
O8 .0816 .0301 .764 .50 |
|
O9 .3078 .4569 .464 .57 |
|
O11 .1870 .0918 .470 .57 |
|
O12 .4556 .3914 .772 .68 |
|
O13 .4335 .2744 .484 .70 |
|
Oh1 .1608 .3954 .467 .79 |
|
Oh5 .0394 .3228 .991 .62 |
|
Oh7 .4104 .1291 .504 .75 |
|
Oh10 .3143 .0351 .998 .68 |
|
H1 .114 .426 .460 2 |
|
H2 .026 .378 .976 2 |
|
H3 .058 .583 .513 2 |
|
H4 .13 .525 .984 2 |
|
Cl 0 .5 .943 .8 .16 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Elpasolite |
|
Sabelli C |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1987 (1987) 481-487 |
|
Structure refinement of elpasolite from Cetine mine, Tuscany, Italy |
|
Locality: Cetine mine, Tuscany, Italy |
|
8.116 8.116 8.116 90 90 90 Fm3m |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K .25 .25 .25 .0155 .0155 .0155 .0155 0 0 0 |
|
Na .5 .5 .5 .0107 .0107 .0107 .0107 0 0 0 |
|
Al 0 0 0 .0074 .0074 .0074 .0074 0 0 0 |
|
F .2225 0 0 .0162 .0083 .0206 .0196 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Kermesite |
|
Bonazzi P, Menchetti S, Sabelli C |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1987 (1987) 557-567 |
|
Structure refinement of kermesite: symmetry, twinning, and comparison with stibnite |
|
Locality: Braunsdorf, Czechoslovakia |
|
8.147 10.709 5.785 102.78 110.63 101.00 P-1 |
|
atom x y z Biso |
|
Sb1 .1680 .6314 .0381 1.09 |
|
Sb2 .6602 .6298 .0140 1.16 |
|
Sb3 .1253 .8543 .6323 1.47 |
|
Sb4 .6515 .9146 .6789 1.60 |
|
S1 .8098 .7027 .4962 1.37 |
|
S2 .2911 .6925 .5169 1.40 |
|
S3 .0467 .9095 .2255 1.26 |
|
S4 .5211 .9106 .2290 1.35 |
|
O1 .8996 .5669 .0352 1.31 |
|
O2 .4135 .5724 .0770 1.51 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Carminite |
|
Olmi F, Sabelli C |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1995 (1995) 553-562 |
|
Carminite from three localities of Sardinia (Italy). Crystal structure refinements |
|
Sample A |
|
Locality: Monte Tamara Mine, Sardinia, Italy |
|
16.604 7.586 12.274 90 90 90 Cccm |
|
atom x y z Biso |
|
Pb1 0 0 .25 1.36 |
|
Pb2 .25 .75 0 1.01 |
|
Fe .1229 .3690 .1348 .88 |
|
As1 .0427 .7380 0 .71 |
|
As2 .2118 0 .25 .46 |
|
O1 .0161 .2463 .1133 .8 |
|
O2 .0915 .5389 0 1.01 |
|
O3 .1128 -.1033 0 1.66 |
|
O4 .1502 .1774 .2426 .84 |
|
O5 .2719 -.0015 .1408 1.18 |
|
OH1 .1689 .2386 0 .33 |
|
OH2 .0795 .5 .25 .79 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Carminite |
|
Olmi F, Sabelli C |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1995 (1995) 553-562 |
|
Carminite from three localities of Sardinia (Italy). Crystal structure refinements |
|
Sample B |
|
Locality: Su Zufuru Mine, Sardinia, Italy |
|
16.617 7.585 12.272 90 90 90 Cccm |
|
atom x y z Biso |
|
Pb1 0 0 .25 1.4 |
|
Pb2 .25 .75 0 .95 |
|
Fe .1230 .3690 .1340 .98 |
|
As1 .0425 .7382 0 .69 |
|
As2 .2116 0 .25 .51 |
|
O1 .0165 .2452 .1135 .86 |
|
O2 .0930 .5359 0 .81 |
|
O3 .1111 -.1033 0 1.53 |
|
O4 .1507 .1757 .2418 1.01 |
|
O5 .2717 -.0049 .1409 1.09 |
|
OH1 .1679 .2363 0 .48 |
|
OH2 .0794 .5 .25 .72 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Carminite |
|
Olmi F, Sabelli C |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1995 (1995) 553-562 |
|
Carminite from three localities of Sardinia (Italy). Crystal structure refinements |
|
Sample C |
|
Locality: Pira Inferida Mine, Sardinia, Italy |
|
16.602 7.586 12.268 90 90 90 Cccm |
|
atom x y z Biso |
|
Pb1 0 0 .25 1.38 |
|
Pb2 .25 .75 0 1.02 |
|
Fe .1228 .3691 0.1344 1.01 |
|
As1 .0427 .7382 0 .68 |
|
As2 .2116 0 .25 .57 |
|
O1 .0172 .2475 0.1093 1.01 |
|
O2 .0939 .5397 0 .78 |
|
O3 .1105 -.1033 0 1.46 |
|
O4 .1507 .1759 0.2418 1.09 |
|
O5 .2706 -.0023 0.1373 .83 |
|
OH1 .1680 .2388 0 .69 |
|
OH2 .0775 .5 .25 .55 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Schairerite |
|
Fanfani L, Nunzi A, Zanazzi P F, Zanzari A R, Sabelli C |
|
Mineralogical Magazine 40 (1975) 131-139 |
|
The crystal structure of schairerite and its relationship to sulphohalite |
|
Locality: Searles Lake, California, USA |
|
12.197 12.197 19.259 90 90 120 P31m |
|
atom x y z Biso |
|
Na1 .5152 0 .5166 1.49 |
|
Na1' .1591 .3340 .5147 1.25 |
|
Na2 .8128 0 .3789 1.05 |
|
Na2' .4788 .3318 .3846 1.31 |
|
Na3 .1892 0 .9294 1.23 |
|
Na3' .8470 .3359 .9339 1.22 |
|
Na4 .1759 0 .6468 1.20 |
|
Na4' .8448 .3337 .6527 1.25 |
|
Na5 .8236 0 .0957 1.84 |
|
Na5' .4783 .3312 .1034 1.77 |
|
Na6 .4879 0 .7928 1.22 |
|
Na6' .1515 .3345 .7941 .98 |
|
Na7 .5180 0 .2357 1.50 |
|
Na7' .1811 .3334 .2391 1.58 |
|
S1 0 0 .2376 1.05 |
|
S1' 2/3 1/3 .2532 1.00 |
|
S2 0 0 .7782 .95 |
|
S2' 2/3 1/3 .7950 .75 |
|
S3 0 0 .5074 .9 |
|
S3' 2/3 1/3 .5266 .72 |
|
S4 .6699 0 .6659 .81 |
|
S5 .6672 0 .9387 .90 |
|
S6 .3366 0 .3673 .83 |
|
S7 .3344 0 .0933 .62 |
|
O1A 0 0 .1631 3.05 |
|
O1B .8884 0 .2636 1.17 |
|
O1A' 2/3 1/3 .3301 1.89 |
|
O1B' .6683 .2201 .2318 1.98 |
|
O2A 0 0 .7026 1.79 |
|
O2B .1140 0 .8064 1.22 |
|
O2A' 2/3 1/3 .8717 .75 |
|
O2B' .5502 .2158 .7701 1.91 |
|
O3A 0 0 .4317 1.15 |
|
O3B .1130 0 .5320 1.13 |
|
O3A' 2/3 1/3 .6043 1.16 |
|
O3B' .6720 .2209 .5021 1.76 |
|
O4A .6771 0 .7416 1.13 |
|
O4B .5517 0 .6460 1.13 |
|
O4C .7834 .1167 .6403 1.36 |
|
O5A .6678 0 .0146 .98 |
|
O5B .5527 0 .9142 1.26 |
|
O5C .7808 .1154 .9133 1.14 |
|
O6A .3384 0 .2897 1.32 |
|
O6B .4475 0 .3971 1.52 |
|
O6C .3356 .1125 .3934 1.51 |
|
O7A .3358 0 .0167 1.66 |
|
O7B .4461 0 .1203 1.85 |
|
O7C .3342 .1123 .1204 1.83 |
|
F1 .6858 0 .4658 1.37 |
|
F2 .3396 0 .8636 .86 |
|
F3 .3486 0 .5674 .98 |
|
F4 .6620 0 .3131 1.45 |
|
F5 .6753 0 .1666 1.14 |
|
F6 .3262 0 .7175 .74 |
|
Cl 0 0 0 .73 |
|
Cl' 2/3 1/3 .0296 1.87 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Apjohnite |
|
Menchetti S, Sabelli C |
|
Mineralogical Magazine 40 (1976) 599-608 |
|
The halotrichite group: The crystal structure of apjohnite |
|
Locality: Terlano, Bolzano, Italy |
|
6.198 24.347 21.266 90 100.28 90 P2_1/c |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mn .36995 .59600 .08053 .64 1.09 .00757 .00040 .00064 -.00018 .00002 -.00005 |
|
Mg .36995 .59600 .08053 .28 1.09 .00757 .00040 .00064 -.00018 .00002 -.00005 |
|
Zn .36995 .59600 .08053 .06 1.09 .00757 .00040 .00064 -.00018 .00002 -.00005 |
|
Fe .36995 .59600 .08053 .02 1.09 .00757 .00040 .00064 -.00018 .00002 -.00005 |
|
Al1 .44015 .61206 .42426 1.29 .00892 .00046 .00078 -.00021 .00003 .00004 |
|
Al2 .68679 .34315 .19779 1.24 .00937 .00047 .00067 .00011 .00026 -.00003 |
|
S1 .08662 .24404 .52658 1.45 .00985 .00053 .00090 -.00015 .00016 -.00002 |
|
S2 .96419 .46510 .38825 1.32 .00972 .00051 .00071 -.00024 .00024 -.00002 |
|
S3 .14189 .19411 .25596 1.49 .01099 .00063 .00076 .00055 .00052 .00011 |
|
S4 .16025 .47277 .10454 1.59 .01214 .00061 .00081 -.00052 .00011 .00010 |
|
O1 .1310 .2170 .4679 2.81 .02080 .00111 .00166 -.00049 .00212 -.00058 |
|
O2 .0271 .3022 .5126 2.23 .01399 .00061 .00175 .00007 .00045 .00009 |
|
O3 -.0941 .2154 .5490 2.47 .01751 .00117 .00118 -.00110 .00119 .00010 |
|
O4 .2866 .2426 .5763 2.75 .01602 .00096 .00177 .00019 -.00164 .00007 |
|
O5 .0118 .4371 .3311 2.40 .01640 .00100 .00137 .00013 .00087 -.00048 |
|
O6 .9042 .5228 .3727 2.21 .01487 .00066 .00155 .00057 .00013 .00015 |
|
O7 .1656 .4644 .4380 2.51 .01799 .00083 .00131 -.00068 -.00220 .00027 |
|
O8 .7860 .4360 .4119 2.83 .01966 .00132 .00144 -.00176 .00150 .00002 |
|
O9 .1249 .1833 .3228 3.20 .02901 .00149 .00110 .00215 .00214 .00042 |
|
O10 .2217 .2505 .2490 2.58 .01528 .00073 .00204 -.00083 .00028 .00014 |
|
O11 -.0809 .1890 .2155 2.67 .01456 .00116 .00167 .00018 .00003 -.00028 |
|
O12 .2933 .1541 .2342 2.56 .02066 .00108 .00124 .00258 .00160 .00028 |
|
O13 .1610 .4437 .1659 2.74 .01670 .00127 .00162 .00144 .00146 .00080 |
|
O14 .2279 .4341 .0593 3.65 .02299 .00195 .00177 -.00094 .00225 -.00079 |
|
O15 -.0616 .4935 .0801 2.97 .01825 .00128 .00162 -.00016 -.00064 .00023 |
|
O16 .3170 .5185 .1176 3.24 .02004 .00086 .00231 -.00226 -.00216 .00032 |
|
O17 .7097 .5854 .1272 2.47 .01574 .00102 .00153 .00023 .00099 -.00015 |
|
O18 .3275 .6323 .1728 2.93 .01406 .00150 .00173 .00072 .00047 -.00048 |
|
O19 .4403 .6756 .0437 3.17 .01743 .00121 .00207 -.00142 -.00103 .00046 |
|
O20 .0329 .6122 .0451 2.30 .01618 .00101 .00119 .00008 .00073 -.00020 |
|
O21 .4004 .5611 -.0100 4.82 .02371 .00241 .00304 -.00114 .00205 -.00099 |
|
O22 .4974 .5572 .3680 2.02 .01255 .00088 .00117 -.00009 .00040 -.00010 |
|
O23 .1491 .6181 .3781 1.84 .00971 .00069 .00132 -.00011 .00004 .00012 |
|
O24 .5339 .6666 .3724 1.89 .01434 .00069 .00103 -.00023 .00038 .00004 |
|
O25 .3746 .6674 .4798 2.11 .01164 .00088 .00143 .00033 .00072 -.00028 |
|
O26 .7283 .6076 .4709 1.79 .01285 .00072 .00092 -.00038 -.00011 .00012 |
|
O27 .3524 .5570 .4763 1.99 .01765 .00072 .00094 -.00092 .00090 .00002 |
|
O28 .5345 .3423 .1120 1.98 .01460 .00082 .00092 .00025 -.00068 .00004 |
|
O29 .9393 .3164 .1698 1.98 .01346 .00085 .00109 .00063 .00071 -.00004 |
|
O30 .6010 .2698 .2096 1.88 .01216 .00074 .00113 .00006 .00024 .00006 |
|
O31 .8392 .3437 .2828 2.21 .01645 .00091 .00109 .00015 .00021 -.00001 |
|
O32 .4301 .3678 .2238 1.89 .01218 .00090 .00104 .00079 .00122 .00002 |
|
O33 .7696 .4155 .1850 2.14 .01549 .00074 .00133 -.00024 .00064 .00002 |
|
O34 .8038 .2629 .3618 5.64 .05442 .00226 .00205 .00337 .00269 .00036 |
|
O35 .2122 .5394 .2608 4.45 .03324 .00206 .00197 -.00126 .00111 -.00034 |
|
O36 .6806 .5091 .2345 3.53 .02919 .00128 .00175 .00126 .00055 .00008 |
|
O37 .4190 .3913 .3425 3.22 .01942 .00163 .00168 .00051 .00117 -.00032 |
|
O38 .4073 .2954 .4097 4.38 .03362 .00196 .00183 -.00075 -.00004 .00001 |
|
H1 .781 .620 .142 |
|
H2 .793 .561 .112 |
|
H3 .210 .647 .173 |
|
H4 .442 .643 .196 |
|
H5 .580 .690 .040 |
|
H6 .320 .690 .010 |
|
H7 -.015 .651 .040 |
|
H8 -.029 .593 .008 |
|
H9 .520 .560 -.030 |
|
H10 .290 .540 -.030 |
|
H11 .632 .543 .380 |
|
H12 .421 .548 .329 |
|
H13 .068 .585 .377 |
|
H14 .137 .644 .346 |
|
H15 .608 .703 .399 |
|
H16 .607 .658 .348 |
|
H17 .225 .679 .476 |
|
H18 .491 .690 .521 |
|
H19 .828 .641 .483 |
|
H20 .764 .585 .510 |
|
H21 .307 .519 .460 |
|
H22 .302 .563 .510 |
|
H23 .450 .310 .100 |
|
H24 .430 .370 .090 |
|
H25 .913 .310 .120 |
|
H26 .048 .293 .197 |
|
H27 .474 .266 .226 |
|
H28 .711 .248 .211 |
|
H29 .888 .381 .303 |
|
H30 .830 .310 .310 |
|
H31 .442 .379 .260 |
|
H32 .332 .398 .195 |
|
H33 .718 .455 .209 |
|
H34 .920 .430 .190 |
|
H35 .732 .262 .326 |
|
H36 .953 .232 .366 |
|
H37 .214 .570 .235 |
|
H38 .190 .510 .230 |
|
H39 .690 .540 .200 |
|
H40 .750 .510 .280 |
|
H41 .547 .412 .361 |
|
H42 .292 .417 .338 |
|
H43 .506 .280 .385 |
|
H44 .410 .330 .390 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Alunogen |
|
Menchetti S, Sabelli C |
| |
Tschermaks Mineralogische und Petrographische Mitteilungen 21 (1974) 164-178 |
|
Alunogen. Its structure and twinning |
|
Locality: grotta dell'allume, Vulcano Island, Italy |
|
7.425 26.9750 6.0608 90.03 97.66 91.94 P-1 |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Al1 .2365 .09959 .0033 .0042 .0003 .0053 .0001 .0012 .0006 |
|
Al2 .2195 .40121 .9987 .0049 .0004 .0064 .00001 .0014 .0007 |
|
S1 .7422 .06071 .4866 .0047 .0004 .0066 .0001 .0007 .0005 |
|
S2 .7318 .43938 .4809 .0051 .0005 .0098 .0001 .0013 .0005 |
|
S3 .1303 .24739 .4731 .0223 .0004 .0134 .0007 .0074 .0008 |
|
O1 .6726 .0337 .2781 .0089 .0012 .0132 .0015 -.0030 -.0006 |
|
O2 .8059 .0257 .6623 .0133 .0006 .0161 -.0006 -.0054 .0020 |
|
O3 .5925 .0886 .5552 .0083 .0009 .0064 .0006 .0023 -.0003 |
|
O4 .8928 .0952 .4512 .0030 .0010 .0167 -.0007 .0014 .0010 |
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O5 .6752 .4664 .2740 .0117 .0010 .0122 -.0009 -.0023 .0022 |
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O6 .8029 .4744 .6573 .0121 .0008 .0225 .0007 -.0045 -.0005 |
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O7 .5715 .4113 .5438 .0064 .0012 .0103 -.0004 .0016 .0018 |
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O8 .8728 .4047 .4455 .0075 .0013 .0181 .0016 .0030 -.0012 |
|
O9 .2626 .2177 .6116 .0350 .0008 .0428 -.0001 -.0053 .0037 |
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O10 .1042 .2268 .2475 .0231 .0013 .0264 .0010 -.0003 -.0012 |
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O11 -.0438 .2464 .5573 .0326 .0020 .0467 .0018 .0239 .0014 |
|
O12 .2023 .2983 .4664 .0488 .0004 .0269 .0006 .0160 .0007 |
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O13 .1400 .0380 .8830 .0075 .0005 .0099 -.0001 -.0021 .0002 |
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O14 .2768 .0690 .2845 .0080 .0005 .0103 .0000 .0005 .0005 |
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O15 .4730 .0819 .9545 .0071 .0008 .0149 .0003 .0026 .0010 |
|
O16 .3265 .1606 .1258 .0094 .0006 .0205 -.0003 .0011 -.0005 |
|
O17 .1967 .1276 .7168 .0079 .0006 .0105 .0002 .0009 .0006 |
|
O18 -.0010 .1149 .0522 .0061 .0008 .0124 .0005 .0035 .0007 |
|
O19 .4521 .4225 .9364 .0077 .0012 .0108 .0001 .0028 .0002 |
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O20 .2687 .4304 .2832 .0090 .0007 .0116 .0003 .0016 .0009 |
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O21 .1266 .4632 .8868 .0066 .0005 .0130 .0001 .0004 .0006 |
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O22 -.0183 .3829 .0549 .0080 .0007 .0125 .0005 .0013 -.0001 |
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O23 .1665 .3753 .7124 .0094 .0008 .0104 .0005 .0013 -.0001 |
|
O24 .3100 .3419 .1112 .0114 .0006 .0197 .0007 .0041 .0016 |
|
O25 .7916 .1748 .8023 .0188 .0012 .0392 .0100 .0001 .0019 |
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O26 .8842 .2906 .9493 .0304 .0014 .0676 -.0008 .0099 -.0020 |
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O27 .6497 .1967 .2262 .0192 .0031 .0898 -.0019 -.0047 -.0011 |
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O28 .4949 .2834 .9045 .0213 .0028 .0563 .0022 .0044 -.0053 |
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Wat29 .644 .296 .444 .4 9.68 |
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H1 .180 .007 .850 |
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H2 .010 .033 .800 |
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H3 .250 .029 .290 |
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H4 .370 .083 .350 |
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H5 .520 .090 .840 |
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H6 .550 .064 .080 |
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H7 .260 .187 .160 |
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H8 .450 .166 .180 |
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H9 .230 .165 .690 |
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H10 .080 .116 .620 |
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H11 -.040 .108 .200 |
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H12 -.080 .138 .960 |
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H13 .500 .413 .790 |
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H14 .520 .444 .050 |
|
H15 .280 .469 .290 |
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H16 .340 .429 .400 |
|
H17 .180 .495 .840 |
|
H18 .020 .477 .860 |
|
H19 -.060 .391 .200 |
|
H20 -.060 .347 .010 |
|
H21 .050 .381 .650 |
|
H22 .180 .345 .660 |
|
H23 .270 .326 .250 |
|
H24 .400 .325 .020 |
|
H25 .680 .159 .680 |
|
H26 .850 .203 .760 |
|
H27 .910 .275 .810 |
|
H28 .960 .268 .060 |
|
H29 .720 .220 .310 |
|
H30 .710 .190 .110 |
|
H31 .440 .259 .820 |
|
H32 .630 .287 .920 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Uklonskovite |
|
Sabelli C |
| |
Bulletin de Mineralogie 108 (1985) 133-138 |
|
Uklonskovite, NaMg(SO4)F*2H2O: new mineralogical data and structure refinement |
|
Locality: Cetine mine, Tuscany, Italy |
|
7.202 7.214 5.734 90 113.23 90 P2_1/m |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na .1960 .25 .6321 1.86 .0103 .0119 .0153 0 .0080 0 |
|
Mg 0 0 0 .78 .0051 .0032 .0079 -.0001 .0032 .0001 |
|
S .3069 .75 .8535 .71 .0042 .0035 .0073 0 .0033 0 |
|
O1 .1763 .5839 .8013 1.32 .0088 .0056 .0150 -.0031 .0078 -.0025 |
|
O2 .4067 .75 .6692 1.06 .0067 .0045 .0128 0 .0065 0 |
|
O3 .4572 .75 .1121 1.66 .0069 .0119 .0086 0 .0006 0 |
|
F1 .0207 .25 .8852 1.03 .0074 .0031 .0117 0 .0048 0 |
|
O4w .2576 .4566 .3291 1.12 .0058 .0054 .0106 .0005 .0027 -.0013 |
|
H1 .346 .418 .295 3.5 |
|
H2 .296 .545 .408 3.5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Darapskite |
|
Sabelli C |
| |
Atti della Accademia Nazionale dei Lincei 42 (1967) 874-887 |
|
La struttura della darapskite |
|
10.564 6.911 5.194 90. 102.78 90 P2_1/m |
|
atom x y z Biso |
|
Na1 .2746 .4947 .1353 1.82 |
|
Na2 .5947 .25 .2729 1.64 |
|
S .5788 .75 .3220 .83 |
|
N .8813 .25 .4275 1.89 |
|
O1 .6346 .5751 .2325 2.21 |
|
O2 .4360 .75 .2198 1.66 |
|
O3 .3962 .25 .3863 1.65 |
|
O4 .8295 .25 .1897 2.22 |
|
Wat5 .1134 .25 .0441 2.06 |
|
O6 .9998 .25 .4982 3.29 |
|
O7 .1862 .75 .4036 2.34 |
|
|
| 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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