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Vesuvianite |
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Fitzgerald S, Leavens P B, Rheingold A L, Nelen J A |
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American Mineralogist 72 (1987) 625-628 |
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Crystal structure of a REE-bearing vesuvianite from San Benito County, |
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California |
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_database_code_amcsd 0001092 |
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15.799 15.799 11.917 90 90 90 *P4/n |
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.25 -.25 0 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si1a -.25 .25 .5 .008 .008 .008 .004 0 0 0 |
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Si1b -.25 .25 0 .010 .008 .008 .015 0 0 0 |
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Si2a -.0404 .3187 .1279 .010 .014 .009 .008 .000 .001 -.001 |
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Si2b -.0408 .1812 .3726 .012 .011 .011 .015 -.000 -.002 -.001 |
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Si3a .0848 .1507 .6375 .010 .012 .008 .011 -.000 -.001 .000 |
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Si3b .0851 .3489 -.1371 .010 .011 .010 .008 .000 -.000 -.002 |
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Ca1a -.25 .25 .2496 .014 .021 .013 .010 0 0 -.000 |
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Ca2a .1893 -.0477 .6219 .012 .011 .013 .014 -.000 -.001 .000 |
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Ca2b -.0474 .1893 -.1220 .013 .014 .011 .013 .001 -.000 .002 |
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Ca3a .1784 .3985 .1094 .64 .014 |
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Ce3a .1784 .3985 .1094 .42 .012 .009 .012 .016 .003 .000 .005 |
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Ca3b .3219 .3988 -.6087 .31 .014 |
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Ce3b .3219 .3988 -.6087 .51 .013 .010 .014 .016 -.002 -.000 .005 |
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Cac1 .25 .25 -.3530 .033 .038 .038 .021 0 0 0 |
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Cac2 .25 .25 -.1453 .015 .015 .015 .017 0 0 0 |
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Mg1a .0002 -.1108 .1197 .5 .014 |
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Fe1a .0002 -.1108 .1197 .5 .005 .009 .002 .003 -.002 .002 .002 |
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Mg1b -.1204 .1114 .6266 .5 .014 |
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Fe1b -.1204 .1114 .6266 .5 .007 .008 .007 .008 -.003 -.001 -.005 |
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Ala1 0 0 .5 .018 .019 .017 .019 -.001 -.001 -.000 |
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Ala2 0 .5 0 .023 .018 .018 .032 -.000 .004 -.001 |
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Feb1 .25 .25 -.0511 .019 .012 .012 .033 0 0 0 |
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Feb2 .25 .25 -.4574 .022 .018 .018 .030 0 0 0 |
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O1a -.2245 .1739 .0852 .012 .016 .010 .009 .004 -.001 -.003 |
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O1b -.2786 .1731 .4143 .015 .021 .009 .014 .005 .002 -.000 |
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O2a -.1171 .1626 .2821 .014 .018 .008 .017 -.000 -.004 .002 |
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O2b -.1169 .3372 .2183 .014 .012 .013 .016 -.002 .001 -.003 |
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O3a -.0448 .2244 .0710 .013 .013 .011 .015 -.007 -.001 .004 |
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O3b -.0469 .2767 .4264 .012 .012 .012 .012 .002 .003 .003 |
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O4a -.0594 .1045 .4690 .012 .013 .014 .008 .000 -.002 .004 |
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O4b -.0592 .3925 .033 .012 .017 .008 .011 .003 -.002 .001 |
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O5a -.0087 .3272 -.1805 .014 .011 .018 .013 -.006 -.001 -.006 |
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O5b -.0103 .1723 .6797 .014 .016 .013 .014 -.001 -.004 .002 |
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O6a .1209 .2755 -.0584 .020 .025 .019 .017 .010 .000 .003 |
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O6b .1225 .2224 .5534 .017 .015 .022 .015 -.007 -.003 .002 |
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O7a .0554 .1757 .3227 .016 .010 .015 .022 -.002 -.001 .001 |
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O7b .0573 .3242 .1777 .015 .016 .016 .013 -.002 -.003 -.001 |
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O8a .0937 .4390 -.0733 .014 .014 .017 .012 .000 .006 .001 |
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O8b .0953 .0594 .5730 .013 .018 .004 .016 -.004 .002 .001 |
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O9a .1474 .1475 .7500 .014 .016 .013 .012 -.002 -.000 -.002 |
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OH10a .25 .25 .1397 .037 .027 .027 .057 0 0 0 |
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OH10b -.25 -.25 -.3603 .036 .022 .022 .062 0 0 0 |
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O11a -.0019 .0630 .1366 .016 .015 .015 .020 .002 -.002 -.003 |
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O11b -.0625 .0011 .6352 .015 .013 .018 .013 .002 -.000 .002 |
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View JMOL 3-D Structure
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Defernite |
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Peacor D R, Sarp H, Dunn P J, Innes J, Nelen J A |
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American Mineralogist 73 (1988) 888-893 |
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Defernite from the Kombat mine, Namibia: A second occurence, structure |
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refinement, and crystal chemistry |
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_database_code_amcsd 0001193 |
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17.82 22.76 3.629 90 90 90 Pnam |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .7112 .0826 .25 .0165 .0234 .0123 -.0013 0 0 |
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Ca2 .5322 .4276 .25 .0174 .0179 .0112 -.0019 0 0 |
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Ca3 .3711 .1788 .25 .0245 .0174 .010 -.0019 0 0 |
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Ca4 .6214 .6586 .25 .0172 .0187 .0106 -.0005 0 0 |
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Ca5 .7702 .9078 .25 .0183 .0226 .0125 -.0026 0 0 |
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Ca6 .9748 .5756 .25 .0156 .0195 .0130 -.0001 0 0 |
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C1 .3710 .4712 .25 .0087 .0212 .0076 .0089 0 0 |
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C2 .8685 .4689 .25 .74 .0089 .0088 .0334 .0037 0 0 |
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Si .8685 .4689 .25 .26 .0089 .0088 .0334 -.0037 0 0 |
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OH1 .1532 .1113 .25 .0105 .0403 .0230 .0000 0 0 |
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OH2 .7162 .8154 .25 .0228 .0297 .0165 -.0039 0 0 |
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OH3 .0889 .3840 .25 .0255 .0253 .0095 .0039 0 0 |
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OH4 .2509 .8573 .25 .0171 .0298 .0132 -.0043 0 0 |
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OH5 .0470 .6620 .25 .0175 .0233 .0139 -.0007 0 0 |
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OH6 .4021 .2790 .25 .0342 .0122 .0113 .0023 0 0 |
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OH7 .4957 .6310 .25 .0180 .0212 .0096 -.0021 0 0 |
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O1C1 .3811 .4141 .25 .0394 .0086 .0167 -.0010 0 0 |
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O2C1 .4325 .5039 .25 .0121 .0279 .0131 -.0027 0 0 |
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O3C1 .3059 .4931 .25 .0181 .0312 .0573 -.0027 0 0 |
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O1C2 .9477 .4633 .25 .0351 .0318 .0170 .0116 0 0 |
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O2C2 .8220 .4227 .25 .88 .0111 .0151 .0643 .0001 0 0 |
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O3C2 .8435 .5267 .25 .88 .0184 .0189 .0177 -.0016 0 0 |
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OH8 .3918 .7484 .25 .39 .0426 .0007 .3496 .0024 0 0 |
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OH9 .3622 .7499 .0571 .12 .0338 |
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OH10 .1294 .2514 .25 .08 .0142 |
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OH11 .0810 .2415 .0935 .16 .0331 |
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| Download AMC data (View Text File)
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Fernandinite |
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Evans H T, Post J E, Ross D R, Nelen J A |
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The Canadian Mineralogist 32 (1994) 339-351 |
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The crystal structure and crystal chemistry of fernandinite and corvusite |
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Minasragu, Peru, with general formula (Ca,Na,K)x(V,Fe,Ti)8O20.4H2O |
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Locality: Minasragu, Peru |
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_database_code_amcsd 0005363 |
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11.680 3.6537 11.023 90 105.00 90 C2/m |
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atom x y z occ Uiso |
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V1 .8018 0 .1370 .01 |
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V2 .0982 0 .1378 .01 |
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Ca1 .061 0 .506 .46 .02 |
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Ca2 .568 0 .478 .26 .02 |
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O1 .946 0 .096 .01 |
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O2 .849 0 .283 .01 |
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O3 .629 0 .120 .01 |
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O4 .274 0 .100 .01 |
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O5 .110 0 .286 .01 |
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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
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