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Tyrolite |
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Krivovichev S V, Chernyshov D Y, Dobelin N, Armbruster T, |
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Kahlenberg V, Kaindl R, Tessadri R, Kaltenhauser G |
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American Mineralogist 91 (2006) 1378-1384 |
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Crystal chemistry and polytypism of tyrolite |
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Sample: Brixlegg, Schwaz, Tyrol, Austria |
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Note: Tyrolite-1M polytype |
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_database_code_amcsd 0004223 |
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27.562 5.5682 10.4662 90 98.074 90 P2/c |
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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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Ca .65147 -.2505 .9456 .0153 .0248 .0090 .0129 -.0026 .0052 -.0003 |
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Cu1 .76399 -.1650 .84020 .0121 .0222 .0096 .0051 .0015 .0041 -.0007 |
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Cu2 .85745 -.1824 .02406 .0135 .0216 .0124 .0074 .0014 .0049 -.0039 |
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Cu3 .94819 -.5359 .9187 .0132 .0258 .0069 .0073 .0035 .0041 .0002 |
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Cu4 .76470 -.4692 .0984 .0123 .0231 .0049 .0102 .0013 .0065 .0025 |
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Cu5 .0000 .0000 .0000 .0183 .0387 .0088 .0081 .0070 .0055 .0002 |
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As1 .86524 -.2818 .71749 .0098 .0205 .0037 .0062 .0000 .0052 -.0003 |
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As2 .69328 -.6964 .79980 .0119 .0238 .0042 .0085 -.0007 .0053 .0000 |
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O1 .8339 -.294 .8477 .012 .019 .007 .012 .000 .006 -.007 |
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O2 .8329 -.573 .0938 .016 .016 .012 .021 .002 .006 .002 |
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O3 .9197 -.585 .2544 .015 .030 .012 .004 -.007 .007 .000 |
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Wat4 .5928 -.423 .0623 .029 .037 .032 .021 -.010 .014 -.003 |
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Wat5 .6363 .104 .0679 .034 .045 .016 .043 .002 .012 .007 |
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O6 .8764 -.011 .1880 .014 .024 .003 .015 .004 .003 -.003 |
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O7 .5876 -.095 .7893 .5 .050 .047 .078 .026 .026 .003 .014 |
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Wat7 .5876 -.095 .7893 .5 .050 .047 .078 .026 .026 .003 .014 |
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O8 .7032 -.326 .1443 .014 .019 .014 .011 -.001 .013 -.006 |
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O9 .6352 -.617 .8116 .019 .030 .019 .011 -.002 .013 .000 |
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OH10 .9807 -.697 .0700 .015 .028 .012 .006 .000 .007 .004 |
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OH11 .9251 -.270 .0219 .016 .017 .015 .017 .002 .004 -.006 |
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O12 .7270 -.498 .8955 .020 .040 .009 .009 -.010 .002 -.002 |
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O13 .7023 .016 .8505 .017 .025 .007 .022 .000 .015 .002 |
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OH14 .7496 -.210 .6559 .010 .024 .005 .002 -.002 .006 .001 |
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Wat15 .9704 -.844 .8322 .018 .033 .009 .014 -.001 .007 .007 |
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OH16 .7863 -.155 .0259 .012 .017 .003 .018 -.002 .004 .002 |
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Wat17 .8715 .207 .915 .037 .040 .037 .036 .000 .010 .012 |
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Wat18 .8060 .215 .820 .50 .014 |
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O19 .5057 -.075 .702 .50 .062 |
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Wat20 .4945 -.333 .018 .50 .056 |
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O21 .5303 .068 .885 .50 .070 |
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C1 .5417 -.050 .791 .38 .022 |
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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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Tyrolite |
|
Krivovichev S V, Chernyshov D Y, Dobelin N, Armbruster T, |
|
Kahlenberg V, Kaindl R, Tessadri R, Kaltenhauser G |
|
American Mineralogist 91 (2006) 1378-1384 |
|
Crystal chemistry and polytypism of tyrolite |
|
Sample: Brixlegg, Schwaz, Tyrol, Austria |
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Note: Tyrolite-2M polytype |
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_database_code_amcsd 0004224 |
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54.520 5.5638 10.4647 90 96.432 90 C2/c |
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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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Ca .17535 .7487 .1761 .0230 .035 .015 .019 .002 .004 .005 |
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Cu1 .11904 .1677 .4955 .0158 .017 .016 .016 .0016 .006 .0028 |
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Cu2 .07184 .8169 .1187 .0150 .019 .018 .009 -.0016 .0044 -.0042 |
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Cu3 .02610 .5363 .4525 .0141 .024 .004 .014 .0046 .001 -.0005 |
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Cu4 .11848 .5279 .2534 .0193 .017 .013 .027 .0005 .000 .002 |
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Cu5 0 0 0 .0206 .032 .011 .019 -.010 .005 -.003 |
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As1 .06791 .2812 .3060 .0123 .0157 .0067 .014 -.0006 .0008 -.0003 |
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As2 .15438 .3027 .0029 .0181 .0194 .0092 .026 .0014 .0064 -.0006 |
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O1 .0830 .294 .455 .012 |
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O2 .0841 .431 .201 .017 |
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O3 .0405 .418 .300 .009 |
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Wat4 .2055 .581 .338 .043 |
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Wat5 .1829 .108 .286 .043 |
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O6 .0624 .003 .270 .018 |
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O7 .2087 .894 .053 .5 .061 |
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Wat7 .2087 .894 .053 .5 .061 |
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O8 .1496 .320 .838 .014 |
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O9 .1836 .378 .062 .028 |
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OH10 .0092 .301 .074 .028 |
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OH11 .0378 .274 .577 .022 |
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O12 .1372 .500 .074 .024 |
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O13 .1500 .011 .049 .020 |
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OH14 .1264 .212 .323 .012 |
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Wat15 .0148 .146 .848 .019 |
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OH16 .1078 .844 .167 .016 |
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Wat17 .0652 .202 .001 .10 |
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Wat18 .0978 .797 .454 .076 |
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Wat19 .248 .56 .10 .50 .15 |
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Wat20 .248 .17 .150 .50 .08 |
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Wat21 .256 .79 .06 .21 .080 |
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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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