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Crichtonite |
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Grey I E, Lloyd D J, White J S |
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American Mineralogist 61 (1976) 1203-1212 |
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The structure of crichtonite and its relationship to senaite |
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_database_code_amcsd 0000535 |
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9.148 9.148 9.148 69.078 69.078 69.078 R-3 |
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atom x y z occ Biso |
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Sr 0 0 0 .7 .622 |
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Pb 0 0 0 .1 .622 |
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La 0 0 0 .05 .622 |
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Ce 0 0 0 .05 .622 |
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Mn1 .5 .5 .5 .7 .085 |
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Fe1 .5 .5 .5 .3 .085 |
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Fe2 .31002 .31002 .31002 .305 |
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Fe3 .34821 .01996 .12540 .733 .303 |
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Ti1 .34821 .01996 .12540 .267 .303 |
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Ti2 .30861 .15018 .71802 .388 |
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Ti3 .47337 .64054 .08370 .334 |
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O1 .30300 .37824 .62878 1.000 |
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O2 .15029 .93711 .23654 .880 |
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O3 .91852 .30110 .45916 .630 |
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O4 .14475 .98866 .51544 .750 |
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O5 .39014 .13445 .48615 .640 |
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O6 .70853 .07152 .24216 .610 |
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O7 .21402 .21402 .21402 .710 |
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| Download AMC data (View Text File)
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Switzerite |
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Zanazzi P F, Leavens P B, White J S |
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American Mineralogist 71 (1986) 1224-1228 |
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Crystal structure of switzerite, Mn3(PO4)2.7H2O and its relationship to |
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metaswitzerite, Mn3(PO4)2.4H2O |
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_database_code_amcsd 0001047 |
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8.528 13.166 11.812 90 110.05 90 P2_1/a |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mn1 -.0495 .8831 -.0218 .0048 .0030 .0305 -.0012 .0082 -.0003 |
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Mn2 .0561 .6165 -.0172 .0045 .0019 .0318 .0006 .0111 .0007 |
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Mn3 .5827 .1243 .3363 .0117 .0101 .0306 -.0005 .0094 .0018 |
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P1 .3346 .9442 .1667 .0022 .0056 .0269 -.0004 .0086 .0018 |
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P2 .1859 .7886 -.1746 .0024 .0056 .0230 .0002 .0066 -.0001 |
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O1 .4013 .0088 .2783 .0205 |
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O2 -.0635 .5325 .0856 .0136 |
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O3 .8479 .6696 .1964 .0183 |
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O4 .6486 .5262 .1002 .0094 |
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O5 .0895 .8708 -.1374 .0147 |
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O6 .0832 .7499 -.2995 .0205 |
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O7 .6485 .1651 .1751 .0125 |
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O8 .2246 .6997 -.0841 .0109 |
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OH9 .3135 .5698 .1174 .0127 |
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OH10 -.0463 .6111 -.5191 .0417 |
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OH11 -.2715 .7280 -.4574 .0492 |
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OH12 -.2909 .5156 -.4036 .0452 |
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OH13 -.1552 .9346 .6287 .0410 |
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OH14 .0537 .7477 .0943 .0135 |
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OH15 .4303 .6651 .3397 .0568 |
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| Download AMC data (View Text File)
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Murdochite |
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Winkler B, Chall M, Pickard C J, Milman V, White J |
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Acta Crystallographica B56 (2000) 22-26 |
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Structure of Cu6PbO8 |
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Note: these are model structure derived from quantum calculations |
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This model appears to be the stable phase at ambient conditions |
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_database_code_amcsd 0009907 |
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9.314 9.314 9.314 90 90 90 Fm3m |
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atom x y z |
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Pb 0 0 0 |
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Cu .25 .25 0 |
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O .145 .145 .145 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Murdochite |
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Winkler B, Chall M, Pickard C J, Milman V, White J |
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Acta Crystallographica B56 (2000) 22-26 |
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Structure of Cu6PbO8 |
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Note: these are model structure derived from quantum calculations |
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This model appears to be the stable phase at high pressure |
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_database_code_amcsd 0009908 |
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8.623 8.623 8.623 90 90 90 Fm-3m |
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atom x y z |
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Pb 0 0 0 |
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Cu 0 .25 .25 |
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O1 .25 .25 .25 |
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O2 .252 0 0 |
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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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