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Leucophanite |
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Grice J D, Hawthorne F C |
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The Canadian Mineralogist 27 (1989) 193-197 |
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Refinement of the crystal structure of leucophanite |
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_database_code_amcsd 0005227 |
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7.401 7.412 9.990 90 90 90 P2_12_12_1 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na .1021 .6782 .2465 .0180 .0250 .0171 .0052 .0045 -.0064 |
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Ca .0788 .6462 .7599 .0116 .0089 .0091 .0021 .0006 .0025 |
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Be .1200 .3592 .5307 .0030 .0004 .0049 .0000 .0000 .0000 |
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Si1 .1000 .3580 .0241 .0066 .0073 .0091 .0000 .0000 -.0002 |
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Si2 .2371 .9917 .9994 .0068 .0069 .0098 .0003 -.0011 -.0005 |
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O1 .0912 .3548 .8645 .0129 .0096 .0090 .0011 .0017 .0003 |
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O2 .1483 .1580 .0895 .0124 .0067 .0110 .0009 .0013 .0001 |
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O3 .0986 .9136 .4111 .0077 .0116 .0109 -.0009 .0008 .0000 |
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O4 .0800 .9129 .9030 .0065 .0114 .0116 -.0008 -.0015 -.0029 |
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O5 .1769 .1626 .5935 .0115 .0066 .0110 .0010 .0031 -.0014 |
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O6 .2553 .5076 .5892 .0099 .0104 .0101 -.0006 .0028 .0020 |
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F .1216 .3526 .3729 .0162 .0191 .0123 -.0003 .0001 -.0018 |
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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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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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