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Nasonite |
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Giuseppetti G, Rossi G, Tadini C |
 |
American Mineralogist 56 (1971) 1174-1179 |
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The crystal structure of nasonite |
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_database_code_amcsd 0000251 |
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10.08 10.08 13.27 90 90 120 P6_3/m |
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atom x y z Biso |
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Pb .25801 .26493 .10862 1.44 |
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Ca1 1/3 2/3 .9936 .98 |
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Ca2 1/3 2/3 .25 .95 |
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Ca3 2/3 1/3 .25 .77 |
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Cl1 0 0 .25 2.14 |
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Cl2 0 0 0 2.02 |
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Si .0259 .4198 .3644 .52 |
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O1 .0710 .3291 .4444 2.11 |
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O2 .8588 .3949 .6208 1.08 |
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O3 .8545 .3748 .3725 1.71 |
|
O4 .0714 .3830 .25 1.38 |
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|
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Harkerite |
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Giuseppetti G, Mazzi F, Tadini C |
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American Mineralogist 62 (1977) 263-272 |
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The crystal structure of harkerite |
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_database_code_amcsd 0000564 |
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18.131 18.131 18.131 33.46 33.46 33.46 R-3m |
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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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Mg1 .5 0 0 .0018 .0025 .0025 -.0006 -.0006 -.0019 |
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Mg2 0 .5 .5 .0017 .0022 .0022 -.0009 -.0009 -.0010 |
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Mg3 .2486 .2486 .2486 .0023 .0023 .0023 -.0012 -.0012 -.0012 |
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Ca1 .1936 .1936 .6723 .0028 .0028 .0047 -.0010 -.0018 -.0018 |
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Ca2 .3168 .3168 -.1982 .0044 .0044 .0076 -.0017 -.0028 -.0028 |
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Ca3 .5592 .5592 .0725 .0055 .0055 .0075 -.0016 -.0034 -.0034 |
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Ca4 -.0659 -.0659 .4498 .0032 .0032 .0061 -.0013 -.0023 -.0023 |
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B1 .3176 .3176 -.0323 .0021 .0021 .0036 -.0008 -.0014 -.0014 |
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B2 .3548 .3548 .3548 .0028 .0028 .0028 -.0013 -.0013 -.0013 |
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Si1 .1361 .1361 .6039 .0046 .0046 .0054 -.0014 -.0026 -.0026 |
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Si2 .1293 .1293 .1293 .0041 .0041 .0041 -.0018 -.0018 -.0018 |
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C1 .2748 .2748 -.2917 .0057 .0057 .0070 -.0002 -.0041 -.0041 |
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C2 0 0 0 .0071 .0071 .0071 -.0030 -.0030 -.0030 |
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C3 .4895 .4895 .4895 .5 .0029 .0029 .0029 -.0012 -.0012 -.0012 |
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Al .0639 .0639 .0639 .0043 .0043 .0043 -.0020 -.0020 -.0020 |
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O1 .0768 .5679 -.2099 .0108 .0076 .0033 -.0064 -.0023 -.0015 |
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O2 .4107 -.0436 .7077 .0074 .0062 .0042 -.0028 -.0033 -.0020 |
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O3 .3181 .3180 .0394 .0059 .0059 .0049 -.0018 -.0029 -.0029 |
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O4 .1694 .1694 .4653 .0091 .0091 .0035 -.0066 -.0020 -.0020 |
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O5 .4300 .4300 .2054 .0059 .0059 .0046 -.0022 -.0027 -.0027 |
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O6 .0575 .0575 .3024 .0120 .0120 .0032 -.0101 -.0015 -.0015 |
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OH .4543 .4543 .4543 .5 .0135 .0135 .0135 -.0063 -.0063 -.0063 |
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Cl .4543 .4543 .4543 .5 .0135 .0135 .0135 -.0063 -.0063 -.0063 |
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O7 -.0390 -.0390 .2383 .0126 .0126 .0078 -.0105 -.0020 -.0020 |
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O8 .0975 .0975 .0975 .0155 .0155 .0155 -.0076 -.0076 -.0076 |
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O9 .1708 .3776 -.2558 .0097 .0113 .0141 -.0043 -.0002 -.0102 |
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O10 .2779 .2779 -.3660 .0224 .0224 .0109 -.0159 -.0058 -.0058 |
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O11 -.1208 .1208 0 .5 .0106 .0106 .0131 .0062 -.0092 -.0092 |
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O12 .5606 .5606 .3462 .5 .0066 .0066 .0044 -.0045 -.0013 -.0013 |
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Leucophanite |
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Cannillo E, Giuseppetti G, Mazzi F, Tazzoli V |
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Zeitschrift fur Kristallographie 202 (1992) 71-79 |
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The crystal structure of a rare earth bearing leucophanite: |
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(Ca,RE)CaNa2Be2Si4O12(F,O)2 |
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Locality: Mt Saint Hilaire, Quebec, Canada |
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_database_code_amcsd 0011026 |
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7.417 7.398 9.986 90 90 90 P1 |
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atom x y z occ Uiso |
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Caa .1037 -.1711 .0096 .92 .0098 |
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CeCaa .1037 -.1711 .0096 .032 .0098 |
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NdCaa .1037 -.1711 .0096 .024 .0098 |
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LaCaa .1037 -.1711 .0096 .016 .0098 |
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PrCaa .1037 -.1711 .0096 .008 .0098 |
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Cab -.1030 .3306 .4904 .82 .0105 |
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CeCab -.1030 .3306 .4904 .072 .0105 |
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NdCab -.1030 .3306 .4904 .054 .0105 |
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LaCab -.1030 .3306 .4904 .036 .0105 |
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PrCab -.1030 .3306 .4904 .018 .0105 |
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Cac .3963 .1720 -.4903 .98 .0115 |
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CeCac .3963 .1720 -.4903 .008 .0115 |
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NdCac .3963 .1720 -.4903 .006 .0115 |
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LaCac .3963 .1720 -.4903 .004 .0115 |
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PrCac .3963 .1720 -.4903 .002 .0115 |
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Cad -.3963 -.3282 -.0100 .98 .0107 |
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CeCad -.3963 -.3282 -.0100 .008 .0107 |
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NdCad -.3963 -.3282 -.0100 .006 .0107 |
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LaCad -.3963 -.3282 -.0100 .004 .0107 |
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PrCad -.3963 -.3282 -.0100 .002 .0107 |
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Naa .0742 -.1473 .4973 .93 .0204 |
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CaNaa .0742 -.1473 .4973 .07 .0204 |
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Nab -.0734 .3526 .0034 .98 .0202 |
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CaNab -.0734 .3526 .0034 .02 .0202 |
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Nac .4279 .1481 -.0027 .87 .0206 |
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CaNac .4279 .1481 -.0027 .13 .0206 |
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Nad -.4315 -.3515 -.4952 .98 .0228 |
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CaNac -.4315 -.3515 -.4952 .02 .0228 |
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Bea .1109 .1313 .2803 .97 .0078 |
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SiBea .1109 .1313 .2803 .03 .0078 |
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Beb -.1095 -.3686 .2197 .94 .0000 |
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SiBeb -.1095 -.3686 .2197 .06 .0000 |
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Bec .3905 -.1310 -.2199 .98 .0063 |
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SiBec .3905 -.1310 -.2199 .02 .0063 |
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Bed -.3916 .3692 -.2803 .96 .0076 |
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SiBed -.3916 .3692 -.2803 .04 .0076 |
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Si1a -.2583 .0131 -.2508 .0063 |
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Si1b .2575 -.4870 -.2492 .0063 |
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Si1c -.2415 -.0125 .2490 .0065 |
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Si1d .2419 .4873 .2503 .0067 |
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Si2a .1077 .1504 -.2256 .0063 |
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Si2b -.1086 -.3492 -.2741 .94 .0051 |
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BeSi2b -.1086 -.3492 -.2741 .06 .0051 |
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Si2c .3922 -.1499 .2737 .97 .0054 |
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BeSi2c .3922 -.1499 .2737 .03 .0054 |
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Si2d -.3918 .3502 .2258 .94 .0057 |
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BeSi2d -.3918 .3502 .2258 .06 .0057 |
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O1a .2420 .0063 -.1610 .0094 |
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O1b -.2431 -.4934 -.3393 .0099 |
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O1c .2581 -.0051 .3387 .0091 |
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O1d -.2581 .4950 .1606 .0093 |
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O2a .1031 .1594 -.3844 .0104 |
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O2b -.1031 -.3410 -.1156 .0098 |
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O2c .3948 -.1582 .1148 .0098 |
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O2d -.3936 .3419 .3845 .0099 |
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O3a -.1638 -.1508 -.3394 .0098 |
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O3b .1631 .3488 -.1606 .0000 |
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O3c .6641 .1515 .1609 .0096 |
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O3d .3360 -.3488 .3385 .0099 |
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O4a -.1620 -.1692 .1531 .0105 |
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O4b .1622 .3308 .3462 .0099 |
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O4c -.3357 .1703 -.3468 .0097 |
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O4d .3355 -.3301 -.1536 .0094 |
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O5a -.0881 .0742 .3435 .0096 |
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O5b .0886 -.4258 .1563 .0093 |
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O5c -.4121 -.0732 -.1576 .0092 |
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O5d .4110 .4263 -.3428 .0094 |
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O6a -.0918 .1010 -.1605 .0000 |
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O6b .0909 -.3993 -.3393 .0000 |
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O6c -.4071 -.1024 .3383 .0098 |
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O6d .4079 .3977 .1609 .0104 |
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Fa .1033 .1282 .1224 .94 .0144 |
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OFa .1033 .1282 .1224 .06 .0144 |
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Fb -.1020 -.3716 .3775 .79 .0131 |
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OFb -.1020 -.3716 .3775 .21 .0131 |
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Fc .3957 -.1294 -.3771 .87 .0131 |
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OFc .3957 -.1294 -.3771 .13 .0131 |
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Fd -.3971 .3711 -.1228 .86 .0136 |
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OFd -.3971 .3711 -.1228 .14 .0136 |
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|
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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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Kogarkoite |
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Fanfani L, Giuseppetti G, Tadini C, Zanazzi P F |
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Mineralogical Magazine 43 (1980) 753-759 |
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The crystal structure of kogarkoite, Na3SO4F |
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Locality: Mt Princeton, Colorado, USA |
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_database_code_amcsd 0014471 |
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18.0790 6.958 11.443 90 107.71 90 P2_1/m |
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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 .5 0 .5 1.30 .0010 .0062 .0031 -.0004 .0005 .0006 |
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Na2 .3494 .25 .3009 1.66 .0010 .0072 .0052 0 .0009 0 |
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Na3 .1166 .25 .8732 1.37 .0008 .0057 .0042 0 .0006 0 |
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Na4 .6149 .25 .3974 1.25 .0009 .0064 .0030 0 .0006 0 |
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Na5 .8519 .25 .8160 1.16 .0011 .0060 .0023 0 .0006 0 |
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Na6 .3934 .25 .9058 1.51 .0017 .0062 .0031 0 .0010 0 |
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Na7 0 0 0 1.24 .0012 .0063 .0024 .0002 .0006 .0010 |
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Na8 .8932 .25 .4380 1.25 .0014 .0051 .0026 0 .0008 0 |
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Na9 .2790 .0274 .0296 1.10 .0009 .0058 .0022 .0000 .0005 .0002 |
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Na10 .4651 .0180 .1900 1.38 .0010 .0066 .0039 .0001 .0008 .0003 |
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Na11 .2447 .0008 .7330 1.25 .0012 .0063 .0024 -.0004 .0006 -.0006 |
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Na12 .7737 .0222 .5510 1.32 .0013 .0063 .0030 .0002 .0009 .0006 |
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Na13 .9700 .0233 .7084 1.22 .0011 .0058 .0029 .0001 .0007 .0002 |
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S1 .1619 .25 .1931 .59 .0005 .0028 .0015 0 .0004 0 |
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S2 .5970 .25 .0821 .67 .0005 .0037 .0015 0 .0003 0 |
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S3 .6537 .25 .7022 .58 .0005 .0030 .0012 0 .0002 0 |
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S4 .0849 .25 .5429 .65 .0006 .0030 .0016 0 .0004 0 |
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S5 .3749 .25 .6120 .66 .0006 .0032 .0015 0 .0004 0 |
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S6 .8697 .25 .1194 .58 .0005 .0030 .0013 0 .0003 0 |
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O1 .1129 .0773 .1787 1.36 .0012 .0045 .0040 -.0010 .0009 -.0003 |
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O2 .6458 .0768 .0945 1.38 .0013 .0040 .0041 .0008 .0009 -.0004 |
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O3 .6532 .0764 .7756 1.30 .0013 .0051 .0028 -.0003 .0006 .0014 |
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O4 .1334 .0768 .5535 1.27 .0011 .0039 .0039 .0006 .0009 -.0001 |
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O5 .2021 .25 .0991 1.38 .0014 .0073 .0031 0 .0015 0 |
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O6 .5598 .25 .1796 1.35 .0011 .0095 .0024 0 .0010 0 |
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O7 .7242 .25 .6632 1.45 .0010 .0080 .0043 0 .0015 0 |
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O8 .0475 .25 .6406 1.49 .0016 .0077 .0035 0 .0018 0 |
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O9 .2196 .25 .3164 1.37 .0011 .0081 .0020 0 -.0001 0 |
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O10 .5369 .25 .9616 1.76 .0010 .0135 .0018 0 -.0002 0 |
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O11 .5838 .25 .5949 1.48 .0011 .0072 .0024 0 -.0005 0 |
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O12 .0244 .25 .4223 1.60 .0012 .0096 .0023 0 -.0003 0 |
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O13 .9181 .0771 .1282 1.49 .0013 .0055 .0038 .0012 .0006 .0002 |
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O14 .8079 .25 .0003 1.25 .0009 .0090 .0016 0 -.0001 0 |
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O15 .8344 .25 .2195 1.46 .0013 .0102 .0025 0 .0010 0 |
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O16 .3747 .0782 .5374 1.82 .0022 .0052 .0043 -.0001 .0013 -.0019 |
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O17 .4430 .25 .7203 2.84 .0021 .0150 .0044 0 -.0012 0 |
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O18 .3044 .25 .6503 2.90 .0022 .0089 .0122 0 .0045 0 |
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F1 .4788 .25 .3566 1.10 .0008 .0073 .0019 0 .0004 0 |
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F2 .3776 .25 .0935 1.05 .0009 .0048 .0022 0 .0002 0 |
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F3 .2376 .25 .8631 1.11 .0010 .0061 .0022 0 .0006 0 |
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F4 .9901 .25 .8760 .98 .0008 .0048 .0022 0 .0004 0 |
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F5 .7427 .25 .3945 1.13 .0011 .0056 .0023 0 .0006 0 |
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F6 .8755 .25 .6271 .98 .0009 .0059 .0016 0 .0004 0 |
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|
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|
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Berborite |
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Giuseppetti G, Mazzi F, Tadini C, Larsen A O, Asheim A, Raade G |
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Neues Jahrbuch fur Mineralogie, Abhandlungen 162 (1990) 101-116 |
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Berborite polytypes |
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Locality: Saga I larvikite quarry, Morje, Porgrunn, Tvelan District, Norway |
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Sample: 1T polytype |
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Note: anisoU's from ICSD |
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_database_code_amcsd 0014716 |
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4.434 4.434 5.334 90 90 120 P3 |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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BeA 2/3 1/3 .6085 .66 .00660 .00660 .01184 .00330 0 0 |
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BeB 1/3 -1/3 .4030 .66 .00680 .00680 .01146 .00340 0 0 |
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B 0 0 .5 .58 .00499 .00499 .01215 .00249 0 0 |
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O1 .3089 -.0001 .5 .74 .00442 .00502 .01879 .00249 -.00065 -.00124 |
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O2A 2/3 1/3 .9089 1.48 .02275 .02275 .01071 .01138 0 0 |
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O2B 1/3 2/3 .0924 1.61 .02533 .02533 .01059 .01267 0 0 |
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HA -.438 .427 .983 1/3 3.5 |
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HB .459 -.444 .020 2/3 3.5 |
|
|
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|
| |
|
Berborite |
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Giuseppetti G, Mazzi F, Tadini C, Larsen A O, Asheim A, Raade G |
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Neues Jahrbuch fur Mineralogie, Abhandlungen 162 (1990) 101-116 |
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Berborite polytypes |
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Locality: Saga I larvikite quarry, Morje, Porgrunn, Tvelan District, Norway |
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Sample: 2H polytype |
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Note: anisoU's from ICSD |
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_database_code_amcsd 0014717 |
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4.433 4.433 10.638 90 90 120 *P6_3 |
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-.33333333 .33333333 0 |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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BeA 2/3 1/3 .3036 .82 .00642 .00642 .0184 .00321 0 0 |
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BeB 1/3 2/3 .2009 .70 .00801 .00801 .0107 .00401 0 0 |
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B 0 0 .25 .61 .00547 .00547 .01213 .00274 0 0 |
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O1 .3089 -.0002 .25 .76 .00528 .00509 .01832 .00258 -.00083 -.00153 |
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O2A 2/3 1/3 .4549 1.32 .01865 .01865 .01276 .00932 0 0 |
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O2B 1/3 2/3 .0450 1.52 .02310 .02310 .01139 .01155 0 0 |
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HA -.401 .446 .496 1/3 3.0 |
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HB .439 -.445 .508 2/3 5.0 |
|
|
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|
| |
|
Berborite |
|
Giuseppetti G, Mazzi F, Tadini C, Larsen A O, Asheim A, Raade G |
| |
Neues Jahrbuch fur Mineralogie, Abhandlungen 162 (1990) 101-116 |
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Berborite polytypes |
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Locality: Saga I larvikite quarry, Morje, Porgrunn, Tvelan District, Norway |
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Sample: 2T polytype |
|
Note: anisoU's from ICSD |
|
_database_code_amcsd 0014718 |
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4.431 4.431 10.663 90 90 120 P3c1 |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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BeA 2/3 1/3 .3039 .67 .00686 .00686 .01157 .00343 0 0 |
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BeB 1/3 2/3 .2011 .73 .00715 .00715 .01339 .00357 0 0 |
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B 0 0 .25 .62 .00520 .00520 .01312 .00260 0 0 |
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O1 .3089 .0000 .25 .78 .00609 .00539 .01979 .00423 .00147 -.00133 |
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O2A 2/3 1/3 .4544 1.53 .02377 .02377 .01065 .01189 0 0 |
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O2B 1/3 2/3 .0462 1.62 .02438 .02438 .01274 .01219 0 0 |
|
HA -.451 .444 .491 1/3 3.0 |
|
HB .452 -.444 .511 2/3 5.0 |
|
|
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|
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Osarizawaite |
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Giuseppetti G, Tadini C |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1980 (1980) 401-407 |
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The crystal structure of osarizawaite |
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Locality: Osarizawa mine, Akita Prefecture, Honshu, Japan |
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_database_code_amcsd 0014767 |
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7.075 7.075 17.248 90 90 120 R-3m |
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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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Pb 0 0 0 3.67 .0194 .0194 .0044 .0097 0 0 |
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Cu -.5 0 .5 .33 .83 .0048 .0042 .0009 .0021 .0000 .0001 |
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Al -.5 0 .5 .54 .83 .0048 .0042 .0009 .0021 .0000 .0001 |
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Fe -.5 0 .5 .13 .83 .0048 .0042 .0009 .0021 .0000 .0001 |
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S 0 0 .3106 1.43 .0062 .0062 .0020 .0031 0 0 |
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O1 0 0 .3942 2.42 .0168 .0168 .0018 .0084 0 0 |
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O2 .2200 -.2200 -.0528 2.15 .0101 .0101 .0032 .0067 -.0002 .0002 |
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Oh .1252 -.1252 .1347 1.17 .0056 .0056 .0015 .0025 .0000 .0000 |
|
H .1908 -.1908 .1217 1.79 |
|
|
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|
| |
|
Creedite |
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Giuseppetti G, Tadini C |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1983 (1983) 69-78 |
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Structural analysis and refinement of Bolivian creedite, Ca3Al2F8(OH)2(SO4)*2(H2O): |
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The role of the hydrogen atoms |
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Locality: Tin mines of the Catavi (Llallagua) zone, Bolivia |
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_database_code_amcsd 0014772 |
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13.936 8.606 9.985 90 94.39 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) |
|
Ca1 .2472 .2182 .1927 .67 .0011 .0020 .0014 -.0002 .0002 -.0001 |
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Ca2 0 .0269 .25 .78 .0007 .0026 .0026 0 .0002 0 |
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Al .2983 .3997 .4876 .54 .0009 .0015 .0013 -.0002 .0001 .0000 |
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F1 .1407 .1185 .3468 .94 .0012 .0040 .0018 -.0005 -.0002 .0002 |
|
F2 .4089 .4540 .4252 1.23 .0015 .0041 .0036 -.0009 .0012 -.0003 |
|
F3 .2650 .4016 .0239 .91 .0018 .0018 .0020 -.0002 .0002 .0003 |
|
F4 .2361 .4404 .3213 .97 .0019 .0025 .0016 .0001 -.0002 .0000 |
|
Oh .3082 .1899 .4379 .67 .0007 .0019 .0025 .0002 .0005 .0000 |
|
H .355 .154 .434 1.4 |
|
S 0 .6573 .25 .73 .0008 .0021 .0025 0 .0003 0 |
|
O1 .4216 .2610 .1926 1.05 .0010 .0034 .0034 .0003 -.0001 .0004 |
|
O2 .4666 .0607 .3578 1.41 .0018 .0038 .0046 .0003 .0014 .0016 |
|
Ow .0716 .2579 .1167 1.28 .0022 .0032 .0030 .0006 -.0001 .0001 |
|
Hw1 .064 .246 .038 3.3 |
|
Hw2 .054 .349 .128 3.1 |
|
|
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|
| |
|
Lazulite |
|
Giuseppetti G, Tadini C |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1983 (1983) 410-416 |
|
Lazulite, (Mg,Fe)Al2(OH)2(PO4)2: structure refinement and hydrogen bonding |
|
Locality: Graves Mountain, Lincoln County, Georgia, USA |
|
_database_code_amcsd 0014778 |
|
7.144 7.278 7.228 90 120.51 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) |
|
Mg 0 0 0 .866 .49 .0035 .0021 .0039 .0003 .0024 .0007 |
|
Fe 0 0 0 .134 .49 .0035 .0021 .0039 .0003 .0024 .0007 |
|
Al -.2674 .2668 .0064 .37 .0020 .0018 .0024 .0002 .0009 .0000 |
|
P .2480 .3854 .2450 .34 .0019 .0016 .0023 -.0001 .0009 -.0001 |
|
O1 -.2125 .0142 .1060 .61 .0050 .0025 .0047 .0010 .0033 .0006 |
|
O2 -.2881 .4998 -.0930 .68 .0064 .0024 .0048 .0007 .0037 .0004 |
|
O3 .0436 .2641 .1245 .62 .0022 .0028 .0050 -.0011 .0011 -.0006 |
|
O4 -.5619 .2427 -.1292 .66 .0025 .0034 .0048 -.0012 .0013 -.0007 |
|
O5 -.2599 .1467 -.2412 .51 .0032 .0027 .0025 -.0001 .0011 -.0006 |
|
H -.362 .425 .209 .51 |
|
|
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|
| |
|
Childrenite |
|
Giuseppetti G, Tadini C |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1984 (1984) 263-271 |
|
The crystal structure of childrenite from Tavistock (SW England), |
|
Ch89Eo11 term of childrenite-eosphorite series |
|
Note: this is the prefered model |
|
Locality: Tavistock, SW England |
|
_database_code_amcsd 0014785 |
|
10.395 13.394 6.918 90 90 90 Bba2 |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Fe .1329 .2499 .2495 .89 .62 .0016 .0010 .0022 .0001 .0004 .0001 |
|
Mn .1329 .2499 .2495 .11 .62 .0016 .0010 .0022 .0001 .0004 .0001 |
|
Al .2483 -.0003 .2500 .42 .0012 .0008 .0009 .0000 -.0001 -.0004 |
|
P .3777 .3324 0 .35 .0007 .0005 .0018 -.0008 .0001 .0001 |
|
O1 .2643 .2577 -.0024 .62 .0012 .0008 .0042 .0007 -.0004 -.0003 |
|
O2 .0076 .2214 .0012 .60 .0011 .0011 .0027 .0004 -.0007 -.0004 |
|
O3 .2536 .0487 .0049 .49 .0020 .0005 .0014 -.0006 -.0005 -.0002 |
|
O4 .1099 .4085 .1801 .46 .0011 .0006 .0024 .0005 .0001 .0001 |
|
O4a -.1127 -.4048 -.1855 .71 .0011 .0016 .0027 -.0008 .0009 -.0005 |
|
O5 .1302 .6011 .3178 .34 .0008 .0006 .0014 .0001 -.0003 .0001 |
|
O5a -.1320 -.6005 -.3200 .79 .0021 .0014 .0026 -.0010 -.0001 .0006 |
|
H1 .279 .107 0 2.7 |
|
H2 .036 .416 .225 1.8 |
|
H3 .100 .406 .048 3.2 |
|
H4 -.036 -.416 -.225 2.8 |
|
|
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|
| |
|
Childrenite |
|
Giuseppetti G, Tadini C |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1984 (1984) 263-271 |
|
The crystal structure of childrenite from Tavistock (SW England), |
|
Ch89Eo11 term of childrenite-eosphorite series |
|
Note: this is not the preferred model |
|
Locality: Tavistock, SW England |
|
_database_code_amcsd 0014786 |
|
10.395 13.394 6.918 90 90 90 Bbam |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Fe .1329 .2499 .2495 .89 .61 .0016 .0010 .0022 0 0 .0001 |
|
Mn .1329 .2499 .2495 .11 .61 .0016 .0010 .0022 0 0 .0001 |
|
Al .25 0 .25 .43 .0012 .0008 .0009 -.0004 -.0001 -.0001 |
|
P .3777 .3324 0 .33 .0007 .0005 .0017 .0001 0 0 |
|
O1 .2643 .2577 0 .64 .0012 .0008 .0044 -.0003 0 0 |
|
O2 .0077 .2214 0 .59 .0011 .0011 .0028 -.0005 0 0 |
|
O3 .2536 .0487 0 .51 .0019 .0005 .0017 -.0002 0 0 |
|
O4 .1113 .4068 .1826 .61 .0011 .0011 .0027 -.0002 .0006 -.0003 |
|
O5 .1311 .6009 .3188 .55 .0014 .0009 .0020 .0003 -.0002 -.0004 |
|
H1 .279 .107 0 3.1 |
|
H2 .036 .416 .225 2.2 |
|
H3 .100 .406 .048 3.3 |
|
|
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|
| |
|
Austinite |
|
Giuseppetti G, Tadini C |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1988 (1988) 159-166 |
|
The crystal structure of austinite, CaZn(AsO4)(OH), from Kamareza, Laurion (Greece) |
|
Locality: Kamareza, Laurion, Greece |
|
_database_code_amcsd 0014822 |
|
7.505 9.037 5.921 90 90 90 P2_12_12_1 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .3689 .6720 .5228 .80 .0044 .0017 .0061 .0004 .0006 .0006 |
|
Zn .7640 .5065 .7576 .84 .0047 .0029 .0036 -.0003 .0004 .0006 |
|
As .3771 .3232 .4834 .61 .0031 .0018 .0038 -.0002 .0001 -.0003 |
|
O1 .5520 .4413 .5102 .71 .0036 .0025 .0037 -.0011 -.0003 .0004 |
|
O2 .2079 .4370 .4118 1.03 .0036 .0032 .0087 .0020 -.0007 .0010 |
|
O3 .6484 .7331 .7694 .85 .0047 .0024 .0050 .0009 .0006 .0001 |
|
O4 .6033 .7094 .2425 1.01 .0057 .0026 .0064 .0013 .0002 .0012 |
|
Oh .8905 .5727 .4924 .77 .0046 .0015 .0054 -.0001 .0001 .0010 |
|
H .993 .523 .501 2.00 |
|
|
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|
| |
|
Burkeite |
|
Giuseppetti G, Mazzi F, Tadini C |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1988 (1988) 203-221 |
|
The crystal structure of synthetic burkeite Na4SO4(CO3)t(SO4)1-t |
|
Sample A |
|
Note sign of y-coordinate for O3 and O5 altered to reproduce reported bond lengths |
|
Locality: synthetic |
|
_database_code_amcsd 0014823 |
|
5.170 9.217 7.058 90 90 90 Pmnm |
|
atom x y z occ Biso |
|
Na1 .25 .7509 .0051 2.24 |
|
Na2 .25 .4254 .25 5.46 |
|
Na3 .75 .8754 .25 2.19 |
|
CT1 .75 .5584 .25 .61 1.61 |
|
ST1 .75 .5584 .25 .39 1.61 |
|
ST2 .2951 .0913 .25 .5 1.16 |
|
O1 .75 .4226 .25 .85 3.8 |
|
O2 .5357 .6403 .25 .88 2.9 |
|
O3 .75 -.4693 .0819 .15 5.5 |
|
O4 .9307 .5809 .0951 .12 6.0 |
|
O5 .1927 -.1645 .0815 .5 2.5 |
|
O6 .2164 -.0632 .25 .5 1.5 |
|
O7 .5798 .1057 .25 .5 2.2 |
|
|
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|
| |
|
Burkeite |
|
Giuseppetti G, Mazzi F, Tadini C |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1988 (1988) 203-221 |
|
The crystal structure of synthetic burkeite |
|
Sample B |
|
Note sign of y-coordinate for O3 and O5 altered to reproduce reported bond lengths |
|
Locality: synthetic |
|
_database_code_amcsd 0014824 |
|
5.177 9.224 7.066 90 90 90 Pmnm |
|
atom x y z occ Biso |
|
Na1 .25 .7510 .0054 2.38 |
|
Na2 .25 .4257 .25 5.70 |
|
Na3 .75 .8788 .25 2.29 |
|
C .75 .5590 .25 .55 1.65 |
|
S1 .75 .5590 .25 .45 1.65 |
|
S2 .2939 .0908 .25 .5 1.25 |
|
O1 .75 .4219 .25 .83 4.3 |
|
O2 .5355 .6427 .25 .86 3.0 |
|
O3 .75 -.4700 .0784 .17 5.3 |
|
O4 .9281 .5783 .0941 .14 5.2 |
|
O5 .1896 -.1632 .0813 .5 2.5 |
|
O6 .2156 -.0641 .25 .5 1.6 |
|
O7 .5757 .1061 .25 .5 2.4 |
|
|
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|
| |
|
Burkeite |
|
Giuseppetti G, Mazzi F, Tadini C |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1988 (1988) 203-221 |
|
The crystal structure of synthetic burkeite |
|
Sample C |
|
Note sign of y-coordinate for O3 and O5 altered to reproduce reported bond lengths |
|
Locality: synthetic |
|
_database_code_amcsd 0014825 |
|
5.198 9.255 7.085 90 90 90 Pmnm |
|
atom x y z occ Biso |
|
Na1 .25 .7512 .0047 2.39 |
|
Na2 .25 .4250 .25 5.79 |
|
Na3 .75 .8805 .25 2.45 |
|
C .75 .5606 .25 .49 1.84 |
|
S1 .75 .5606 .25 .51 1.84 |
|
S2 .2942 .0896 .25 .5 1.30 |
|
O1 .75 .4216 .25 .83 4.2 |
|
O2 .5358 .6429 .25 .83 2.7 |
|
O3 .75 -.4701 .0854 .17 5.9 |
|
O4 .9310 .5834 .0888 .17 4.5 |
|
O5 .1892 -.1606 .0816 .5 2.9 |
|
O6 .2177 -.0651 .25 .5 1.7 |
|
O7 .5755 .1071 .25 .5 2.3 |
|
|
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|
| |
|
Kainosite-(Y) |
|
Giuseppetti G, Tadini C, Oddone M |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1989 (1989) 153-164 |
|
Cenosite-(Y) from Baveno, Novara (Italy): crystal structure |
|
Locality: Baveno, Novara, Italy |
|
_database_code_amcsd 0014836 |
|
13.011 14.310 6.757 90 90 90 Pmnb |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .0772 .4523 .3001 1.28 .0023 .0014 .0062 -.0003 .0004 -.0006 |
|
Y .0568 .2187 .1117 .99 .0020 .0011 .0040 .0001 -.0005 -.0001 |
|
Si1 .1307 .1469 .6112 .99 .0017 .0012 .0046 .0001 .0001 .0000 |
|
Si2 .1312 .4309 .8389 1.01 .0017 .0012 .0048 .0000 -.0001 .0000 |
|
C1 .25 .1243 .1129 1.46 .0023 .0020 .0063 0 0 .0006 |
|
O1 .1127 .0353 .5569 1.37 .0025 .0012 .0077 -.0001 -.0003 .0001 |
|
O2 .0524 .1707 .7927 1.21 .0021 .0017 .0047 .0001 .0001 -.0001 |
|
O3 .0954 .2164 .4382 1.37 .0028 .0017 .0047 .0003 -.0001 .0003 |
|
O4 .25 .1600 .6729 1.45 .0017 .0022 .0078 0 0 .0001 |
|
O5 .0525 .4196 .6540 1.27 .0019 .0018 .0057 -.0002 -.0004 -.0002 |
|
O6 .1111 .3613 .0190 1.32 .0025 .0014 .0062 -.0001 .0004 .0003 |
|
O7 .25 .4266 .7571 1.31 .0017 .0022 .0054 0 0 -.0002 |
|
O8 .1639 .0817 .1148 1.69 .0022 .0017 .0120 -.0001 .0004 .0005 |
|
O9 .25 .2142 .1078 1.65 .0026 .0017 .0099 0 0 .0003 |
|
O10 .25 .3810 .3625 2.10 .0034 .0027 .0096 0 0 -.0005 |
|
H1 .25 .319 .335 3.0 |
|
H2 .25 .369 .506 3.0 |
|
|
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|
| |
|
Chalcosiderite |
|
Giuseppetti G, Mazzi F, Tadini C |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1989 (1989) 227-239 |
|
The crystal structure of chalcosiderite, CuFe3+6(PO4)4(OH)8*4H2O |
|
Locality: Wheal Phoenix Mine, Cornwall, England |
|
_database_code_amcsd 0014837 |
|
7.653 7.873 10.190 67.57 69.17 64.93 P-1 |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Cu 0 0 0 1.05 .0052 .0050 .0027 -.0016 .0005 -.0009 |
|
Fe1 .2863 .1822 .7530 .88 .72 .0050 .0033 .0023 -.0017 -.0008 -.0011 |
|
Al1 .2863 .1822 .7530 .12 .72 .0050 .0033 .0023 -.0017 -.0008 -.0011 |
|
Fe2 .7560 .1873 .2743 .88 .69 .0046 .0031 .0023 -.0014 -.0007 -.0012 |
|
Al2 .7560 .1873 .2743 .12 .69 .0046 .0031 .0023 -.0014 -.0007 -.0012 |
|
Fe3 .2444 .5032 .2433 .97 .74 .0044 .0037 .0022 -.0015 -.0004 -.0011 |
|
Al3 .2444 .5032 .2433 .03 .74 .0044 .0037 .0022 -.0015 -.0004 -.0011 |
|
P1 .3500 .3823 .9482 .74 .0046 .0039 .0022 -.0018 -.0005 -.0009 |
|
P2 .8433 .3807 .4621 .73 .0047 .0038 .0020 -.0019 -.0004 -.0009 |
|
O1 .0608 .3635 .3913 1.13 .0042 .0078 .0032 -.0029 .0008 -.0018 |
|
O2 .8063 .3361 .6284 1.01 .0067 .0062 .0021 -.0026 -.0003 -.0014 |
|
O3 .2754 .3486 .1144 1.03 .0069 .0060 .0020 -.0029 .0005 -.0015 |
|
O4 .0715 .0619 .1939 1.49 .0069 .0086 .0046 -.0029 -.0015 -.0012 |
|
O5 .2330 .0815 .6260 1.12 .0082 .0051 .0035 -.0029 -.0022 -.0009 |
|
O6 .7393 .0863 .1184 .97 .0053 .0048 .0031 -.0014 -.0006 -.0016 |
|
O7 .2953 .4154 .6000 1.14 .0066 .0048 .0032 -.0017 -.0009 -.0003 |
|
O8 .3320 .2215 .9104 1.24 .0097 .0055 .0036 -.0030 -.0022 -.0014 |
|
O9 .9859 .2743 .8564 1.05 .0057 .0047 .0035 -.0015 -.0006 -.0015 |
|
O10 .5830 .0437 .6829 1.42 .0081 .0061 .0043 -.0031 -.0003 -.0011 |
|
O11 .7838 .4188 .1255 1.15 .0060 .0043 .0038 -.0013 -.0016 .0000 |
|
O12 .4640 .2907 .3331 1.13 .0059 .0060 .0031 -.0019 -.0006 -.0009 |
|
O13 .7944 .2251 .4377 1.04 .0084 .0049 .0029 -.0034 -.0013 -.0010 |
|
O14 .5690 .3681 .9048 1.01 .0043 .0068 .0028 -.0027 -.0001 -.0010 |
|
H1 .157 -.075 .239 3 |
|
H2 .134 .114 .210 11 |
|
H3 .641 .097 .604 4 |
|
H4 .598 -.057 .677 5 |
|
H5 .162 .160 .544 7 |
|
H6 .652 .175 .050 3 |
|
H7 .983 .323 .915 4 |
|
H8 .449 .281 .417 9 |
|
|
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|
| |
|
Leadhillite |
|
Giuseppetti G, Mazzi F, Tadini C |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1990 (1990) 255-268 |
|
The crystal structure of leadhillite: Pb4(SO4)(CO3)2(OH)2 |
|
Locality: Iglesiente area, Sardinia, Italy |
|
_database_code_amcsd 0014843 |
|
9.11 20.82 11.59 90 90.46 90 P2_1/a |
|
atom x y z Biso |
|
Pb1 .4179 .1789 .1083 .85 |
|
Pb2 .4295 .4324 .1034 .85 |
|
Pb3 .4143 .6934 .0939 .90 |
|
Pb4 .4065 .9385 .1032 .85 |
|
Pb5 .6260 .0479 .3211 2.35 |
|
Pb6 .5584 .2826 .3380 1.26 |
|
Pb7 .5354 .5736 .3188 2.78 |
|
Pb8 .6078 .8319 .3187 1.33 |
|
S1 .2300 .0737 .4873 1.18 |
|
S2 .2384 .3175 .5132 1.09 |
|
C1 .256 .057 .158 1.6 |
|
C2 .257 .313 .146 1.0 |
|
C3 .250 .563 .124 1.1 |
|
C4 .249 .809 .155 3.7 |
|
O1 .074 .087 .465 4.2 |
|
O2 .100 .281 .541 1.0 |
|
O3 .300 .138 .475 2.1 |
|
O4 .208 .387 .512 2.3 |
|
O5 .285 .024 .411 5.6 |
|
O6 .292 .293 .400 2.2 |
|
O7 .242 .055 .614 2.1 |
|
O8 .346 .304 .606 2.2 |
|
O9 .184 .005 .150 1.2 |
|
O10 .183 .258 .152 1.7 |
|
O11 .183 .507 .129 1.4 |
|
O12 .172 .758 .139 1.0 |
|
O13 .397 .057 .153 2.1 |
|
O14 .401 .311 .151 1.0 |
|
O15 .395 .562 .128 1.6 |
|
O16 .389 .807 .152 1.9 |
|
O17 .183 .114 .164 1.8 |
|
O18 .183 .367 .131 1.8 |
|
O19 .172 .617 .119 1.0 |
|
O20 .181 .868 .151 1.1 |
|
OH1 .467 .184 .294 2.4 |
|
OH2 .386 .448 .288 1.7 |
|
OH3 .388 .671 .284 1.4 |
|
OH4 .468 .936 .290 1.4 |
|
|
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|
| |
|
Vigezzite |
|
Giuseppetti G, Tadini P |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1990 (1990) 301-308 |
|
The crystal structure of vigezzite, (Ca,Ce)(Nb,Ta,Ti)2O6, |
|
intermediate term of the aeschynite series |
|
Locality: Vigezzo Valley, Novara, Italy |
|
_database_code_amcsd 0014844 |
|
11.065 7.527 5.343 90 90 90 Pnma |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
CaA .4565 .25 .0391 .75 .94 .0023 .0038 .0074 0 -.0001 0 |
|
CeA .4565 .25 .0391 .25 .94 .0023 .0038 .0074 0 -.0001 0 |
|
NbB .3587 .5061 .5382 .475 .95 .0016 .0052 .0076 .0002 -.0002 .0004 |
|
TaB .3587 .5061 .5382 .315 .95 .0016 .0052 .0076 .0002 -.0002 .0004 |
|
TiB .3587 .5061 .5382 .210 .95 .0016 .0052 .0076 .0002 -.0002 .0004 |
|
O1 .2875 .4390 .8722 1.09 .0019 .0058 .0092 .0001 .0009 .0001 |
|
O2 .5251 .4583 .7300 1.02 .0021 .0053 .0073 .0002 .0006 .0009 |
|
O3 .6223 .25 .3345 1.07 .0020 .0046 .0108 0 .0004 0 |
|
O4 .3545 .25 .4485 1.05 .0019 .0041 .0111 0 -.0003 0 |
|
|
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|
| |
|
Langbanite |
|
Giuseppetti G, Mazzi F, Tadini C |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1991 (1991) 193-211 |
|
The crystal structure of monoclinic langbanite: |
|
(Mn,Ca,Fe,Mg)2+4(Mn,Fe)3+9Sb5+[O16(SiO4)2] |
|
Locality: Langban, Sweden |
|
_database_code_amcsd 0014850 |
|
11.561 20.05 11.075 90 90.03 90 C2/m |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Sba 0 0 0 .38 .00467 .00503 .00469 0 -.00149 0 |
|
Sbb 0 .3254 0 .36 .00358 .00550 .00468 0 -.00155 0 |
|
Mn1a .5 0 0 .57 2.43 .02301 .01190 .05750 0 .02853 0 |
|
Ca1a .5 0 0 .43 2.43 .02301 .01190 .05750 0 .02853 0 |
|
Mn1b .5 .337 0 .96 .64 .00584 .00693 .01143 0 .00057 0 |
|
Mg1b .5 .337 0 .04 .64 .00584 .00693 .01143 0 .00057 0 |
|
Mn1c .25 .25 0 .97 .63 .00527 .00766 .01099 .00033 -.00214 -.00090 |
|
Mg1c .25 .25 0 .03 .63 .00527 .00766 .01099 .00033 -.00214 -.00090 |
|
Mn1d .2509 .0857 .0053 .91 .93 .00760 .01019 .01761 -.00082 -.00469 .00480 |
|
Ca1d .2509 .0857 .0053 .09 .93 .00760 .01019 .01761 -.00082 -.00469 .00480 |
|
Mn2a .8103 0 .2605 .77 .50 .00639 .00717 .00529 0 -.00067 0 |
|
Fe2a .8103 0 .2605 .23 .50 .00639 .00717 .00529 0 -.00067 0 |
|
Mn2b .8404 .3333 .2700 .82 .45 .00395 .00799 .00524 .00043 -.00145 .00025 |
|
Fe2b .8404 .3333 .2700 .18 .45 .00395 .00799 .00524 .00043 -.00145 .00025 |
|
Mn2c .0831 .0785 .2702 .61 .48 .00576 .00683 .00563 -.00059 -.00144 .00003 |
|
Fe2c .0831 .0785 .2702 .39 .48 .00576 .00683 .00563 -.00059 -.00144 .00003 |
|
Mn2d .0938 .2374 .2675 .72 .49 .00513 .00762 .00585 .00001 -.00174 .00019 |
|
Fe2d .0938 .2374 .2675 .28 .49 .00513 .00762 .00585 .00001 -.00174 .00019 |
|
Mn2e .0758 .413 .2626 .60 .45 .00534 .00660 .00528 -.00040 -.00173 -.00025 |
|
Fe2e .0758 .413 .2626 .40 .45 .00534 .00660 .00528 -.00040 -.00173 -.00025 |
|
Mn3a .5 0 .5 .91 .66 .00598 .00607 .01309 0 .00294 0 |
|
Fe3a .5 0 .5 .09 .66 .00598 .00607 .01309 0 .00294 0 |
|
Mn3b .5 .3389 .5 .87 .48 .00363 .00546 .00899 0 .00008 0 |
|
Fe3b .5 .3389 .5 .13 .48 .00363 .00546 .00899 0 .00008 0 |
|
Mn3c .25 .25 .5 .99 .46 .00314 .00552 .00884 .00042 -.00243 -.00147 |
|
Fe3c .25 .25 .5 .01 .46 .00314 .00552 .00884 .00042 -.00243 -.00147 |
|
Mn3d .2564 .0836 .5093 .99 .47 .00361 .00568 .00861 -.00007 -.00267 .00155 |
|
Fe3d .2564 .0836 .5093 .01 .47 .00361 .00568 .00861 -.00007 -.00267 .00155 |
|
Mn4a 0 0 .5 .94 .71 .01218 .00731 .00730 0 -.00008 0 |
|
Fe4a 0 0 .5 .06 .71 .01218 .00731 .00730 0 -.00008 0 |
|
Mn4b 0 .3285 .5 .92 .67 .00601 .01147 .00790 0 -.00170 0 |
|
Fe4b 0 .3285 .5 .08 .67 .00601 .01147 .00790 0 -.00170 0 |
|
Sia .3323 0 .2383 .57 .00732 .00784 .00661 0 -.00354 0 |
|
Sib .3327 .3342 .2393 .46 .00473 .00731 .00545 -.00014 -.00106 -.00023 |
|
O1a .3330 0 .0904 .96 .01490 .01360 .00800 0 -.00011 0 |
|
O1b .3327 .3341 .0911 .65 .00794 .00949 .00736 .00095 -.00125 .00045 |
|
O2a .8453 0 .0894 .72 .00600 .01220 .00900 0 -.00033 0 |
|
O2b .8550 .3261 .0955 .67 .00408 .01418 .00716 -.00062 .00171 -.00125 |
|
O2c .0690 .0734 .0948 .70 .01131 .00791 .00731 -.00095 -.00058 -.00093 |
|
O2d .0776 .2510 .0925 .63 .00866 .00723 .00807 .00228 -.00318 .00132 |
|
O2e .0766 .3982 .0915 .72 .01100 .00966 .00656 -.00371 -.00120 -.00269 |
|
O3a .6329 0 .2208 1.11 .02230 .00670 .01320 0 .00140 0 |
|
O3b .6817 .3478 .2383 .88 .00871 .01165 .01302 .00228 -.00332 -.00119 |
|
O4a .2018 0 .2852 1.50 .01070 .02100 .02520 0 .00430 0 |
|
O4b .4634 .3376 .2913 1.00 .00734 .02070 .00993 -.00076 -.00534 .00195 |
|
O4c .3971 .0651 .2891 1.48 .01830 .01350 .02450 -.00235 -.00645 -.00637 |
|
O4d .2708 .2680 .2918 1.12 .01800 .01114 .01360 -.00379 .00346 .00273 |
|
O4e .2633 .3982 .2897 1.10 .01600 .01312 .01260 .00512 .00074 -.00295 |
|
O5a -.0219 0 .2985 .66 .00570 .01050 .00870 0 .00058 0 |
|
O5b .0096 .3213 .2978 .68 .00797 .00888 .00881 .00039 -.00100 -.00018 |
|
O6a .7894 0 .4365 .59 .00880 .00590 .00780 0 -.00334 0 |
|
O6b .8117 .3343 .4475 .49 .00550 .00607 .00706 -.00007 -.00078 .00060 |
|
O6c .1019 .0921 .4487 .56 .00274 .00913 .00939 .00009 -.00091 -.00106 |
|
O6d .0997 .2294 .4472 .66 .00586 .00613 .01325 -.00285 -.00429 -.00023 |
|
O6e .0900 .4300 .4354 .55 .00517 .00876 .00697 -.00028 .00194 -.00161 |
|
|
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|
| |
|
Roggianite |
|
Giuseppetti G, Mazzi F, Tadini C, Galli E |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1991 (1991) 307-314 |
|
The revised crystal structure of roggianite: Ca2[Be(OH)2Al2Si4O13]<2.5H2O |
|
Locality: Val Vigezzo, Novara, Italy |
|
_database_code_amcsd 0014856 |
|
18.33 18.33 9.16 90 90 90 I4/mcm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .1769 .1769 .25 .017 .0196 .0196 .0114 -.0070 .0030 -.0030 |
|
Be .2619 .2381 0 .018 .0169 .0169 .0216 -.0009 0 0 |
|
O6 .2935 .2065 .1512 .017 .0181 .01818 .0146 .0044 -.0027 0.0027 |
|
H1 .324 .176 .145 .03 |
|
Al .2177 0 .25 .011 .0142 .0109 .0064 0 0 -.0016 |
|
Si1 .1044 .2810 0 .012 .0140 .01385 .0075 -.0029 0 0 |
|
Si2 .1159 .0408 0 .010 .0122 .0101 .0083 -.0005 0 0 |
|
O1 .1353 .3647 0 .016 .0140 .0140 .0192 -.0062 0 0 |
|
O2 .1641 .0579 .1457 .016 .0226 .0140 .0113 -.0004 .0034 -.0019 |
|
O3 .0579 .2673 .1461 .022 .0288 .0240 .0133 -.0126 .0077 -.0022 |
|
O4 .0451 .0936 0 .021 .0190 .0233 .0201 .0043 0 0 |
|
O5 .1725 .2246 0 .015 .0169 .0149 .0143 -.0034 0 0 |
|
Wat1 .409 .091 .154 .49 .14 |
|
Wat2 .375 .079 0 .27 .13 |
|
Wat3 .445 .055 .264 .41 .22 |
|
|
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|
| |
|
Stillwellite-(Ce) |
|
Callegari A, Giuseppetti G, Mazzi F, Tadini C |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1992 (1992) 49-57 |
|
The refinement of the crystal structure of stillwellite: RE[BSiO5] |
|
Locality: Bassano Romano, Viterbo, Italy |
|
_database_code_amcsd 0018728 |
|
6.844 6.844 6.700 90 90 120 P3_1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ce .5869 -.0018 .8333 .0098 .00568 .00486 .00448 .00345 -.00015 .00012 |
|
B .1159 .0184 .8108 .0101 .00632 .00168 .00694 .00180 .00163 .00105 |
|
Si .5823 -.0026 .3342 .0108 .00929 .00613 .00473 .00636 .00376 .00036 |
|
O1 .3532 .1978 .8600 .0096 .00104 .00342 .00752 -.00046 -.00041 -.00353 |
|
O2 .1893 .3294 .1463 .0153 .00647 .01002 .00571 .00266 -.00014 .00048 |
|
O3 .6140 .4768 .1583 .0132 .00133 .00826 .00792 .00055 -.00126 -.00002 |
|
O4 .4530 .5974 .8340 .0142 .00808 .00869 .00480 .00343 -.00159 -.00062 |
|
O5 .0589 .0571 .6133 .0126 .00904 .00444 .00453 .00193 -.00127 .00051 |
|
|
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|
| |
|
Pseudoboleite |
|
Giuseppetti G, Mazzi F, Tadini C |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1992 (1992) 113-126 |
|
The crystal structure of pseudoboleite: Pb31Cu24Cl62(OH)48; |
|
its relations with the structures of boleite and cumengeite |
|
Locality: Boleo, Baja California, Mexico |
|
_database_code_amcsd 0014859 |
|
15.24 15.24 30.74 90 90 90 I4/mmm |
|
atom x y z occ Uiso |
|
Pb1 0 .2750 .2421 .0289 |
|
Pb2 .3042 .3042 .1510 .0261 |
|
Pb3 0 .5 .1351 .0308 |
|
Pb4 .2740 .5 0 .0333 |
|
Pb5a 0 0 .3927 .687 .0281 |
|
Pb5b 0 0 .3706 .313 .0314 |
|
Pb6 .1547 0 0 .476 .0566 |
|
Pb7 0 0 .0837 .468 .0713 |
|
Pb8 0 .5 0 .449 .0541 |
|
Pb9 0 0 .2716 .631 .0527 |
|
Cu1 .2566 .0953 .1267 .0214 |
|
Cu2 .2565 .2565 .0471 .0222 |
|
Cl1 .3781 .1161 .3076 .0309 |
|
Cl2 .3837 .3837 .0592 .0323 |
|
Cl3 .3780 .3780 .4383 .0522 |
|
Cl4 .3579 .3579 .2512 .0410 |
|
Cl5 0 .1736 .3402 .0424 |
|
Cl6 0 .3704 .4341 .0295 |
|
Cl7 .3265 0 0 .0330 |
|
Cl8 0 0 .1739 .0385 |
|
OH1 .1912 .3118 .0943 .0304 |
|
OH2 .3108 .3108 .3460 .0183 |
|
OH3 0 .3306 .1051 .0249 |
|
OH4 0 .2108 .1632 .0233 |
|
OH5 .2099 .3293 0 .0274 |
|
|
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|
| |
|
Nealite |
| |
Giuseppetti G, Mazzi F, Tadini C |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1993 (1993) 278-288 |
|
The crystal structure of nealite: Pb4Fe(AsO3)2Cl4*2H2O |
|
Locality: Laurion, Greece |
|
_database_code_amcsd 0014867 |
|
6.53 10.23 5.588 96.4 89.5 97.8 P-1 |
|
atom x y z occ Uiso |
|
Pb1 .7014 .4522 .2462 .0195 |
|
Pb2A .5786 .8177 .3271 .514 .0209 |
|
Pb2B .5570 .8237 .2313 .486 .0244 |
|
Fe 0 0 0 .0199 |
|
As .1940 .3142 .2114 .0193 |
|
O1 .368 .360 .457 .026 |
|
O2 .376 .365 -.015 .024 |
|
O3 .225 .143 .161 .043 |
|
Cl1 .1464 .6313 .2753 .026 |
|
Cl2 .7053 .1267 .1674 .028 |
|
Wat .955 .909 .313 .054 |
|
|
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|
| |
|
Nadorite |
|
Giuseppetti G, Tadini C |
| |
Periodico di Mineralogia 42 (1973) 335-345 |
|
Riesame della struttura cristallina della nadorite: PbSbO2Cl |
|
Locality: Djebel Nador, Algeria |
|
_database_code_amcsd 0014937 |
|
5.603 12.245 5.448 90 90 90 Cmcm |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Pb 0 .3812 .25 .0081 .0021 .0092 0 0 0 |
|
Sb 0 .0795 .25 .0081 .0016 .0092 0 0 0 |
|
O .2183 0 0 .0051 .0012 .0080 0 0 .0011 |
|
Cl 0 .7458 .25 .0133 .0032 .0163 0 0 0 |
|
|
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|
| |
|
Beryllonite |
|
Giuseppetti G, Tadini C |
| |
Tschermaks Mineralogische und Petrographische Mitteilungen 20 (1973) 1-12 |
|
Refinement of the crystal structure of beryllonite |
|
_database_code_amcsd 0015643 |
|
8.178 7.818 14.114 90 90.00 90 P2_1/n |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na1 .2477 .0046 .2499 .00759 .00710 .00261 -.00025 -.00002 -.00007 |
|
Na2 .7308 .4712 .0881 .00581 .00418 .00190 -.00011 .00071 -.00041 |
|
Na3 .7737 .0305 .0682 .00391 .00552 .00141 -.00073 -.00045 -.00044 |
|
Be1 .9220 .1699 .2411 .00080 .0041 .00083 -.00003 .00011 .00036 |
|
Be2 .3991 .1693 .4190 .00312 .0030 .00118 -.00078 -.00051 -.00004 |
|
Be3 .4329 .171 .0910 .00184 .0061 .00020 -.00083 .00021 .00037 |
|
P1 .5806 .2858 .2628 .00102 .00145 .00047 -.00006 -.00007 .00002 |
|
P2 .1069 .2902 .0813 .00105 .00137 .00063 -.00011 -.00012 .00004 |
|
P3 .0689 .2887 .4084 .00088 .00119 .00054 .00016 -.00004 -.00014 |
|
O1 .4411 .2678 .1906 .00191 .00401 .00061 .00057 -.00015 -.00057 |
|
O2 .0662 .2686 .1855 .00343 .00587 .00052 -.00044 -.00011 .00044 |
|
O3 .2483 .2770 .3762 .00205 .00562 .00132 .00018 .00034 -.00003 |
|
O4 .7430 .2499 .2137 .00359 .00579 .00123 .00004 .00039 .00016 |
|
O5 .9524 .2520 .0223 .00143 .00486 .00117 -.00059 -.00027 .00013 |
|
O6 .5600 .2534 .0134 .00250 .00596 .00099 -.00071 .00015 .00036 |
|
O7 .5550 .1652 .3458 .00380 .00420 .00123 .00038 .00034 .00012 |
|
O8 .2449 .1674 .0527 .00311 .00341 .00130 .00019 -.00002 -.00023 |
|
O9 .9609 .1645 .3530 .00359 .00255 .00130 .00068 -.00002 .00022 |
|
O10 .5769 .4702 .2994 .00542 .00240 .00106 .00032 .00003 -.00006 |
|
O11 .1663 .4724 .0642 .00328 .00208 .00148 .00006 .00000 .00024 |
|
O12 .0068 .4701 .3904 .00438 .00375 .00122 .00063 -.00057 .00033 |
|
|
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|
| |
|
Phosgenite |
|
Giuseppetti G, Tadini C |
| |
Tschermaks Mineralogische und Petrographische Mitteilungen 21 (1974) 101-109 |
|
Reexamination of the crystal structure of phosgenite, Pb2Cl2(CO3) |
|
Locality: Monteponi Mine, Iglesias, Iglesiente district, Cagliari Province, Sardinia, Italy |
|
_database_code_amcsd 0015646 |
|
8.160 8.160 8.883 90 90 90 P4/mbm |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Pb .1659 .6659 .2594 1.25 .0054 .0054 .0028 -.0011 .0004 .0004 |
|
Cl1 0 0 .2428 1.65 .0036 .0036 .0097 0 0 0 |
|
Cl2 .3521 .8521 .5 1.49 .0067 .0067 .0028 -.0010 0 0 |
|
C .3257 .8257 0 1.07 |
|
O1 .2110 .7110 0 1.22 |
|
O2 .3726 .8726 .1269 .99 |
|
|
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|
| |
|
Sarkinite |
|
Dal Negro A, Giuseppetti G, Pozas J M M |
| |
Tschermaks Mineralogische und Petrographische Mitteilungen 21 (1974) 246-260 |
|
The crystal structure of sarkinite, Mn2AsO4(OH) |
|
_database_code_amcsd 0015650 |
|
12.779 13.596 10.208 90 108.88 90 P2_1/a |
|
atom x y z Biso |
|
Mn1 .1001 .9308 .4733 .33 |
|
Mn2 .0868 .4270 .4510 .28 |
|
Mn3 .3894 .3228 .0267 .34 |
|
Mn4 .4216 .8201 .0422 .28 |
|
Mn5 .1977 .0031 .2170 .41 |
|
Mn6 .1886 .5203 .1927 .31 |
|
Mn7 .3023 .2489 .2875 .39 |
|
Mn8 .3166 .7310 .3025 .33 |
|
As1 .42470 .07142 .12113 .05 |
|
As2 .42541 .57604 .11348 .01 |
|
As3 .07649 .17874 .37906 .01 |
|
As4 .07540 .67531 .38360 .04 |
|
O1 .1760 .1519 .3097 .51 |
|
O2 .1771 .6407 .3223 .53 |
|
O3 .3339 .0950 .2031 .63 |
|
O4 .3202 .6145 .1665 .46 |
|
O5 .4307 .1619 .0079 .43 |
|
O6 .4591 .6666 .0222 .48 |
|
O7 .4588 .2932 .2524 .35 |
|
O8 .4598 .7934 .2551 .57 |
|
O9 .1205 .2762 .4875 .57 |
|
O10 .1208 .7715 .4899 .58 |
|
O11 .0590 .0883 .4845 .41 |
|
O12 .0468 .5815 .4723 .54 |
|
O13 .0502 .4474 .2361 .54 |
|
O14 .0339 .9570 .2466 .61 |
|
O15 .3767 .4801 .0049 .54 |
|
O16 .3828 .9714 .0174 .57 |
|
OH17 .2541 .9708 .4385 .49 |
|
OH18 .3004 .4164 .3068 .58 |
|
OH19 .2078 .8389 .1962 .65 |
|
OH20 .2396 .2782 .0671 .62 |
|
|
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|
| |
|
Northupite |
|
Dal Negro A, Giuseppetti G, Tadini C |
| |
Tschermaks Mineralogische und Petrographische Mitteilungen 22 (1975) 158-163 |
|
Refinement of the crystal structure of northupite: Na3Mg(CO3)2Cl |
|
Locality: Searles Lake, California, USA |
|
_database_code_amcsd 0015654 |
|
14.069 14.069 14.069 90 90 90 *Fd3 |
|
.125 .125 .125 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na .89770 .125 .125 1.58 .00202 .00211 .00186 0 0 .00039 |
|
Mg .5 .5 .5 .83 .00104 .00104 .00104 -.00005 -.00005 -.00005 |
|
C .28309 .28309 .28309 .80 .00101 .00101 .00101 -.00021 -.00021 -.00021 |
|
O .26270 .23011 .35458 1.20 .00186 .00143 .00126 -.0001 .00018 .00032 |
|
Cl 0 0 0 2.09 .00264 .00264 .00264 -.00102 .00102 .00102 |
|
|
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|
| |
|
Sarcolite |
|
Giuseppetti G, Mazzi F, Tadini C |
| |
Tschermaks Mineralogische und Petrographische Mitteilungen 24 (1977) 1-21 |
|
The crystal structure of sarcolite |
|
Locality: Vesuvius volcano, Bay of Naples, Italy |
|
_database_code_amcsd 0015662 |
|
12.343 12.343 15.463 90 90 90 I4/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) |
|
Na1 0 0 .2821 1.30 -.0009 -.0009 .0041 0 0 0 |
|
Na2 0 .5 .25 .76 8.44 .0014 .0014 .0248 0 0 0 |
|
Ca1 .2696 .4008 0 1.06 .0019 .0021 .0007 .0000 0 0 |
|
Ca2 .0763 .2084 .1349 .96 .0017 .0013 .0011 .0000 -.0003 .0000 |
|
Al .3755 .1879 .1423 1.12 .0006 .0011 .0024 .0001 .0001 -.0010 |
|
Si1 .3710 .0102 0 .58 .0012 .0010 .0004 .0004 0 0 |
|
Si2 .2446 .3901 .2017 .56 .0010 .0007 .0007 .0000 .0001 -.0001 |
|
O1 0 .5 0 4.08 .0119 .0015 .0043 -.0031 0 0 |
|
O2 .1040 .3081 0 1.79 .0010 .0058 .0013 .0002 0 0 |
|
O3 .3353 .0715 .0873 1.14 .0024 .0020 .0008 -.0005 .0005 -.0005 |
|
O4 .2222 .4885 .1341 1.29 .0033 .0009 .0014 .0007 .0001 .0000 |
|
O5 .2782 .2913 .1361 1.18 .0023 .0012 .0015 .0004 -.0002 -.0003 |
|
O6 .1651 .0800 .2270 .96 .0013 .0014 .0013 .0000 -.0001 -.0001 |
|
O7 .1303 .3509 .2444 1.16 .0015 .0019 .0015 -.0005 .0000 .0000 |
|
O8 .3946 .2508 0 .72 2.78 .0013 .0028 .0060 .0007 0 0 |
|
O9 .038 .118 0 .125 1.5 |
|
O10 .100 -.074 0 .125 1.5 |
|
O11 -.069 -.022 .080 .125 1.5 |
|
O12 .093 .045 .058 .25 1.5 |
|
O13 .5 .555 .071 .115 1.5 |
|
O14 .539 .539 .071 .115 1.5 |
|
O15 .462 .405 0 .23 1.5 |
|
Si3 0 0 0 .5 .56 .0010 .0010 .0005 0 0 0 |
|
P3 0 0 0 .5 .56 .0010 .0010 .0005 0 0 0 |
|
C .513 .495 0 .23 1.5 |
|
Cl .5 .5 0 .08 1.5 |
|
|
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|
| |
|
Weberite |
|
Giuseppetti G, Tadini C |
| |
Tschermaks Mineralogische und Petrographische Mitteilungen 25 (1978) 57-62 |
|
Re-examination of the crystal structure of weberite |
|
Locality: Ivigtut, Greenland |
|
_database_code_amcsd 0015669 |
|
7.060 10.000 7.303 90 90 90 Imma |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na1 0 0 0 1.72 .0077 .0069 .0041 0 0 .0027 |
|
Na2 .25 .25 .75 2.25 .0055 .0036 .0197 0 -.0018 0 |
|
Mg1 .25 .25 .25 .45 .0017 .0013 .0023 0 .0004 0 |
|
Al1 0 0 .5 .31 .0015 .0009 .0013 0 0 .0005 |
|
F1 0 .25 .1362 .78 .0011 .0033 .0038 0 0 0 |
|
F2 0 .4145 .7205 .90 .0059 .0026 .0022 0 0 .0002 |
|
F3 .1836 .3873 .4301 .87 .0034 .0022 .0050 .0008 .0005 -.0016 |
|
|
| Download AMC data (View Text File)
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|
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Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
