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Georgeericksenite |
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Cooper M A, Hawthorne F C, Roberts A C, Grice J D, Stirling J A R, Moffatt E A |
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American Mineralogist 83 (1998) 390-399 |
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Georgeericksenite, Na6CaMg(IO3)6(CrO4)2(H2O)12, a new mineral from Oficina |
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Chacabuco, Chile: Description and crystal structure |
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_database_code_amcsd 0001978 |
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23.645 10.918 15.768 90 114.42 90 C2/c |
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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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Ca 0 .1223 .25 .016 .014 .014 0 .002 0 |
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Mg .5 .1056 .25 .023 .012 .013 0 .011 0 |
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Na1 .1379 .1783 .1780 .029 .028 .025 -.001 .013 .003 |
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Na2 .1228 .3922 .3304 .026 .022 .022 -.003 .005 .001 |
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Na3 .3777 .1291 .0189 .030 .033 .037 0 .012 -.004 |
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I1 .12628 .11870 .49298 .0164 .0153 .0143 .0018 .0038 .0007 |
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I2 .00440 .37451 .08827 .0149 .0137 .0111 -.0009 .0053 -.0008 |
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I3 .36796 .15586 .29555 .0177 .0181 .0175 -.0003 .0069 .0041 |
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Cr .4843 .3465 .0852 .016 .012 .013 -.001 .004 .001 |
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O1 .3272 .2589 .4317 .022 .024 .018 -.003 .004 -.005 |
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O2 .1789 .0616 .4456 .027 .035 .031 -.001 .014 .011 |
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O3 .0786 .2143 .3950 .019 .016 .015 .005 .000 .003 |
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O4 .0511 .2896 .1928 .014 .027 .011 .004 .002 .004 |
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O5 .0336 .4799 .3624 .015 .027 .015 .006 .004 -.004 |
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O6 .0630 .4704 .0767 .013 .024 .026 -.001 .005 -.007 |
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O7 .3272 .2846 .2247 .043 .022 .024 .003 .007 .023 |
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O8 .3081 .0427 .2601 .023 .053 .055 .026 .001 -.009 |
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O9 .4075 .0991 .2278 .032 .041 .017 .003 .016 .018 |
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O10 .0614 .1818 .0206 .040 .049 .020 -.011 .001 .009 |
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O11 .4772 .2344 .1450 .090 .032 .052 .015 .036 -.004 |
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O12 .4668 .4759 .1204 .030 .025 .026 -.008 .003 -.001 |
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O13 .4446 .3503 .4038 .025 .056 .069 .014 .021 -.001 |
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Wat1 .0975 .0281 .2522 .038 .021 .038 -.004 .018 .005 |
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Wat2 .1947 .3370 .1437 .044 .028 .024 .007 .014 -.002 |
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Wat3 .1982 .2442 .3359 .020 .031 .033 -.007 .013 .004 |
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OW4A .1895 -.003 .167 |
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OW4B .1979 .063 .118 |
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Wat5 .1865 .4556 .4851 .032 .026 .024 -.007 .012 -.001 |
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Wat6 .3130 .2809 .0420 .050 .043 .041 .011 .027 .004 |
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George-ericksenite |
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Cooper M A, Hawthorne F C, Roberts A C, Grice J D, Stirling J A R, Moffatt E A |
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American Mineralogist 83 (1998) 390-399 |
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Georgeericksenite, Na6CaMg(IO3)6(CrO4)2(H2O)12, a new mineral from Oficina |
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Chacabuco, Chile: Description and crystal structure |
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_database_code_amcsd 0001979 |
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23.645 10.918 15.768 90 114.42 90 C2/c |
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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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Ca 0 .1223 .25 .016 .014 .014 0 .002 0 |
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Mg .5 .1056 .25 .023 .012 .013 0 .011 0 |
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Na1 .1379 .1783 .1780 .029 .028 .025 -.001 .013 .003 |
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Na2 .1228 .3922 .3304 .026 .022 .022 -.003 .005 .001 |
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Na3 .3777 .1291 .0189 .030 .033 .037 0 .012 -.004 |
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I1 .12628 .11870 .49298 .0164 .0153 .0143 .0018 .0038 .0007 |
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I2 .00440 .37451 .08827 .0149 .0137 .0111 -.0009 .0053 -.0008 |
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I3 .36796 .15586 .29555 .0177 .0181 .0175 -.0003 .0069 .0041 |
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Cr .4843 .3465 .0852 .016 .012 .013 -.001 .004 .001 |
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O1 .3272 .2589 .4317 .022 .024 .018 -.003 .004 -.005 |
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O2 .1789 .0616 .4456 .027 .035 .031 -.001 .014 .011 |
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O3 .0786 .2143 .3950 .019 .016 .015 .005 .000 .003 |
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O4 .0511 .2896 .1928 .014 .027 .011 .004 .002 .004 |
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O5 .0336 .4799 .3624 .015 .027 .015 .006 .004 -.004 |
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O6 .0630 .4704 .0767 .013 .024 .026 -.001 .005 -.007 |
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O7 .3272 .2846 .2247 .043 .022 .024 .003 .007 .023 |
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O8 .3081 .0427 .2601 .023 .053 .055 .026 .001 -.009 |
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O9 .4075 .0991 .2278 .032 .041 .017 .003 .016 .018 |
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O10 .0614 .1818 .0206 .040 .049 .020 -.011 .001 .009 |
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O11 .4772 .2344 .1450 .090 .032 .052 .015 .036 -.004 |
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O12 .4668 .4759 .1204 .030 .025 .026 -.008 .003 -.001 |
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O13 .4446 .3503 .4038 .025 .056 .069 .014 .021 -.001 |
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Wat1 .0975 .0281 .2522 .038 .021 .038 -.004 .018 .005 |
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Wat2 .1947 .3370 .1437 .044 .028 .024 .007 .014 -.002 |
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Wat3 .1982 .2442 .3359 .020 .031 .033 -.007 .013 .004 |
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OW4A .1895 -.003 .167 |
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OW4B .1979 .063 .118 |
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Wat5 .1865 .4556 .4851 .032 .026 .024 -.007 .012 -.001 |
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Wat6 .3130 .2809 .0420 .050 .043 .041 .011 .027 .004 |
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Dukeite |
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Burns P C, Roberts A C, Stirling J A R, Criddle A J, Feinglos M N |
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American Mineralogist 85 (2000) 1822-1827 |
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Dukeite, Bi24Cr8O57(OH)6(H2O)3, a new mineral from Brejauba, Minas Gerais, |
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Brazil: Description and crystal structure |
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_database_code_amcsd 0002599 |
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15.067 15.067 15.293 90 90 120 P31c |
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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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Bi1 -.0237 .8074 .0630 .0192 .0379 .0200 .0184 .0038 .0056 |
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Bi2 .6928 .6693 .0676 .0160 .0263 .0130 .0117 -.0023 .0024 |
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Bi3 .8309 .5245 .0646 .0149 .0175 .0142 .0054 .0021 -.0022 |
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Bi4 .6752 .4764 .2600 .0176 .0133 .0095 .0112 .0008 -.0001 |
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Bi5 .0251 .7021 .2652 .0155 .0151 .0100 .0083 .0007 .0028 |
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Bi6 .2921 .8245 .2649 .0201 .0190 .0078 .0136 .0012 .0002 |
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Bi7 .1701 .9740 .2603 .0228 .0163 .0124 .0118 -.0002 -.0043 |
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Bi8 .1261 .6464 .0651 .0535 .0188 .0050 .0075 -.0009 .0009 |
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Cr1 .166 .836 -.089 .0149 |
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Cr2 2/3 1/3 -.092 .0044 |
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Cr3 0 0 -.088 .0258 |
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Cr4 -.002 .494 -.0999 .0133 |
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O1 .171 .832 .328 .0096 |
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O2 .290 .947 .204 .0096 |
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OH3 .830 .660 -.004 .0096 |
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O4 .553 .340 .201 .0096 |
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O5 .041 .841 .197 .0096 |
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O6 .841 .790 .122 .0096 |
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O7 .709 .548 .132 .0096 |
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O8 .968 .655 .112 .0096 |
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O9 .160 .832 .019 .0096 |
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O10 2/3 1/3 .015 .0096 |
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O11 0 0 -.194 .0096 |
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O12 -.004 .497 -.207 .0096 |
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O13 -.020 .093 -.062 .0096 |
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O14 -.027 .579 -.062 .0096 |
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O15 -.086 .380 -.063 .0096 |
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O16 .671 .234 -.131 .0096 |
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O17 .191 .751 -.126 .0096 |
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O18 .263 .942 -.122 .0096 |
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O19 .055 .813 -.126 .0096 |
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O20 .109 .516 -.065 .0096 |
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O21 2/3 1/3 .33 .0096 |
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O22 .148 .707 .193 .0096 |
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OH23 .017 .500 .105 .0096 |
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Wat24 .339 .744 .105 .0096 |
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Ekanite |
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Szymanski J T, Owens D R, Roberts A C, Ansell H G, Chao G Y |
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The Canadian Mineralogist 20 (1982) 65-75 |
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A mineralogical study and crystal-structure determination of |
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nonmetamict ekanite, ThCa2Si8O20 |
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Note: Changed O2-x coordinate to match reported bond lengths |
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_database_code_amcsd 0005184 |
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7.483 7.483 14.893 90 90 90 I422 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Th 0 0 0 .95 .0103 .0103 .0143 0 0 0 |
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U 0 0 0 .05 .0103 .0103 .0143 0 0 0 |
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Ca .5 0 0 .96 .0158 .0293 .0267 0 0 0 |
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Fe .5 0 0 .03 .0158 .0293 .0267 0 0 0 |
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Mn .5 0 0 .01 .0158 .0293 .0267 0 0 0 |
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Si .3335 .2540 .1479 .0160 .0147 .0220 -.0005 -.0007 -.0015 |
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O1 .2544 .4521 .1251 .0262 .0126 .0523 .0025 -.0013 .0028 |
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O2 .2124 .7124 .25 .0606 .0606 .0207 .0127 .0069 .0069 |
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O3 .2553 .1075 .0818 .0230 .0279 .0291 -.0025 -.0070 -.0081 |
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Tungstite |
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Szymanski J T, Roberts A C |
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The Canadian Mineralogist 22 (1984) 681-688 |
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The crystal structure of tungstite, WO3.H2O |
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_database_code_amcsd 0005199 |
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5.249 10.711 5.133 90 90 90 Pmnb |
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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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W .25 .22090 -.0037 .0072 .0154 .0083 0 0 -.0028 |
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O1 .25 .436 .075 .034 .024 .015 0 0 -.0020 |
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O2 .25 .066 -.064 .017 .020 .015 0 0 .0020 |
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O3 .495 .227 .249 .061 .020 .074 -.0060 -.0060 -.0060 |
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H1 .25 .479 .200 .0330 .0330 .0330 0 0 0 |
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H2 .25 .478 -.055 .0330 .0330 .0330 0 0 0 |
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Szymanskiite |
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Szymanski J T, Roberts A C |
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The Canadian Mineralogist 28 (1990) 709-718 |
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The crystal structure of szymanskiite, a partly disordered (Hg-Hg)2+, |
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(Ni,Mg)2+ hydronium-carbonate-hydroxide-hydrate |
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_database_code_amcsd 0005242 |
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17.3984 17.3984 6.0078 90 90 120 P6_3 |
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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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Hg1 2/3 1/3 .0440 .0444 .04308 .0030 .02154 0 0 |
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Hg2 1/3 2/3 -.0408 .0392 .03791 .0112 .01896 0 0 |
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Hg3 .44218 .29903 .25 .0339 .0143 .0290 .0155 .0060 -.0064 |
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Hg4 .44636 .15674 .2545 .0309 .0133 .0229 .0139 .0046 -.0009 |
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Ni .0049 .5019 -.0093 .68 .0030 .0122 .0061 .0029 .0031 .0030 |
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Mg .0049 .5019 -.0093 .32 .0030 .0122 .0061 .0029 .0031 .0030 |
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O1 .2495 .5667 .241 .0134 |
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O2 .4274 .4141 .237 .014 |
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O3 .4387 .0325 .258 .013 |
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C1 .1683 .5547 .246 .015 |
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O4 .1316 .5428 .062 .015 |
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O5 .1322 .5550 .442 .017 |
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C2 .0425 .2461 .221 .022 |
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O6 .0742 .3328 .297 .062 |
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O7 .228 .040 .313 .200 |
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O8 .111 .230 .207 .064 |
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O9 .2685 .4075 .219 .72 .034 |
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O10 .240 .339 .22 .35 .081 |
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O11 .234 .198 .351 .73 .132 |
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Harrisonite |
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Grice J D, Roberts A C |
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The Canadian Mineralogist 31 (1993) 781-785 |
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Harrisonite, a well-ordered silico-phosphate with a layered crystal structure. |
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Ca(Fe,Mg)6(SiO4)2(PO4)2 |
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Locality: Arcedeckne Island, Artic Canada |
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_database_code_amcsd 0005340 |
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6.248 6.248 26.802 90 90 120 R-3m |
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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 0 0 0 .0113 .0066 .0066 .0206 .0033 0 0 |
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Fe .4969 .9938 .0950 .88 .0078 .0065 .0070 .0101 .0035 .0001 -.0002 |
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Mg .4969 .9938 .0950 .12 .0078 .0065 .0070 .0101 .0035 .0001 -.0002 |
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Si 0 0 .8623 .0058 .0056 .0056 .0062 .0028 0 0 |
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P 0 0 .6802 .0062 .0066 .0066 .0054 .0033 0 0 |
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O1 0 0 .1988 .009 .009 .009 .007 .0048 0 0 |
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O2 0 0 .6224 .008 .009 .009 .008 .0043 0 0 |
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O3 .1429 .2858 .1183 .0092 .008 .012 .012 .0038 .0011 .002 |
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O4 .7979 .5958 .0362 .0104 .013 .008 .008 .0043 .0002 -.0000 |
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Wattersite |
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Groat L A, Roberts A C, Le Page Y |
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The Canadian Mineralogist 33 (1995) 41-46 |
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The crystal structure of wattersite, Hg4HgCrO6 |
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_database_code_amcsd 0005429 |
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11.274 11.669 6.603 90 98.19 90 C2/c |
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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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Hg1 0 0 0 .0100 .0149 .0155 -.0009 .0016 .0025 |
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Hg2 .2729 .07744 .2988 .0308 .0148 .0286 -.0070 .0010 .0036 |
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Hg3 .3363 .27667 .2099 .0201 .0134 .0233 -.0050 -.0007 .0014 |
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Cr .5 .8167 .25 .0133 |
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O1 .3579 .4508 .1458 .0264 |
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O2 .5052 .7335 .0451 .0192 |
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O3 .3708 .8941 .2049 .0268 |
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Frankhawthorneite |
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Grice J D, Roberts A C |
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The Canadian Mineralogist 33 (1995) 649-653 |
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Frankhawthorneite, a unique HCP framework structure of a cupric tellurate |
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_database_code_amcsd 0005433 |
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9.107 5.213 4.605 90 98.74 90 P2_1/n |
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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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Cu .1780 .5352 -.0002 .0115 .0050 .0101 .0018 -.0020 -.0008 |
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Te 0 0 0 .0089 .0048 .0042 .0008 .0001 -.0008 |
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O1 -.012 .297 .241 .006 .009 .007 -.001 -.001 .002 |
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OH2 .628 .299 .269 .007 .009 .005 .001 .001 .002 |
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O3 .326 .356 .275 .013 .005 .007 .002 -.002 .003 |
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Jensenite |
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Grice J D, Groat L A, Roberts A C |
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The Canadian Mineralogist 34 (1996) 55-59 |
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Jensenite, a cupric tellurate framework structure with two coordinations of |
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copper |
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_database_code_amcsd 0005477 |
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9.224 9.180 7.600 90 102.38 90 P2_1/n |
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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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Cu1 .1209 .8969 .1347 .0113 .0191 .0085 .0008 .0027 -.0016 |
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Cu2 .1174 .9229 .6432 .0077 .0044 .0114 -.000 -.0010 .0000 |
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Cu3 .1200 .5844 .6278 .0084 .0045 .0085 -.0010 -.0024 .0003 |
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Te -.1357 .7564 .3869 .0063 .0056 .0055 -.0003 -.0005 .0000 |
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O1 .241 .257 .864 .003 .011 .0047 -.001 -.003 -.000 |
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O2 .542 .282 .868 .008 .010 .007 -.002 -.000 .002 |
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O3 .234 .572 .881 .003 .003 .005 .000 -.000 .004 |
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O4 .503 .603 .823 .009 .01 .01 -.001 .000 .003 |
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O5 .000 .596 .367 .009 .019 .008 .008 -.002 .003 |
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O6 .729 .617 .443 .006 .010 .012 -.003 .000 -.000 |
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Wat7 .438 .655 .457 .017 .012 .011 .002 .000 .003 |
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Wat8 .800 .538 .806 .016 .026 .009 -.001 .000 .004 |
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|
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Adamsite-(Y) |
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Grice J D, Gault R A, Roberts A C, Cooper M A |
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The Canadian Mineralogist 38 (2000) 1457-1466 |
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Adamsite-(Y), a new sodium-yttrium carbonate mineral species from |
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Note: O8 y-coordinate altered |
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Locality: Mont Saint-Hilaire, Quebec, Canada |
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_database_code_amcsd 0005703 |
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6.2592 13.0838 13.2271 91.130 103.554 90.188 P-1 |
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atom x y z Uiso occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Y1 .3114 .62581 .00962 .0156 .72 .0114 .0151 .0207 .0005 .0044 .0000 |
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Dy1 .3114 .62581 .00962 .0156 .06 .0114 .0151 .0207 .0005 .0044 .0000 |
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Er1 .3114 .62581 .00962 .0156 .05 .0114 .0151 .0207 .0005 .0044 .0000 |
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Gd1 .3114 .62581 .00962 .0156 .04 .0114 .0151 .0207 .0005 .0044 .0000 |
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Nd1 .3114 .62581 .00962 .0156 .03 .0114 .0151 .0207 .0005 .0044 .0000 |
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Yb1 .3114 .62581 .00962 .0156 .02 .0114 .0151 .0207 .0005 .0044 .0000 |
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Sm1 .3114 .62581 .00962 .0156 .02 .0114 .0151 .0207 .0005 .0044 .0000 |
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Ho1 .3114 .62581 .00962 .0156 .02 .0114 .0151 .0207 .0005 .0044 .0000 |
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Ce1 .3114 .62581 .00962 .0156 .01 .0114 .0151 .0207 .0005 .0044 .0000 |
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Tb1 .3114 .62581 .00962 .0156 .01 .0114 .0151 .0207 .0005 .0044 .0000 |
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Tm1 .3114 .62581 .00962 .0156 .01 .0114 .0151 .0207 .0005 .0044 .0000 |
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Y2 .8016 .87428 -.01011 .0161 .72 .0127 .0153 .0213 -.0009 .0060 .0000 |
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Dy2 .8016 .87428 -.01011 .0161 .06 .0127 .0153 .0213 -.0009 .0060 .0000 |
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Er2 .8016 .87428 -.01011 .0161 .05 .0127 .0153 .0213 -.0009 .0060 .0000 |
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Gd2 .8016 .87428 -.01011 .0161 .04 .0127 .0153 .0213 -.0009 .0060 .0000 |
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Nd2 .8016 .87428 -.01011 .0161 .03 .0127 .0153 .0213 -.0009 .0060 .0000 |
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Yb2 .8016 .87428 -.01011 .0161 .02 .0127 .0153 .0213 -.0009 .0060 .0000 |
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Sm2 .8016 .87428 -.01011 .0161 .02 .0127 .0153 .0213 -.0009 .0060 .0000 |
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Ho2 .8016 .87428 -.01011 .0161 .02 .0127 .0153 .0213 -.0009 .0060 .0000 |
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Ce2 .8016 .87428 -.01011 .0161 .01 .0127 .0153 .0213 -.0009 .0060 .0000 |
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Tb2 .8016 .87428 -.01011 .0161 .01 .0127 .0153 .0213 -.0009 .0060 .0000 |
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Tm2 .8016 .87428 -.01011 .0161 .01 .0127 .0153 .0213 -.0009 .0060 .0000 |
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Na1 .4232 .6251 .3243 .0360 .0312 .0395 .0376 .0036 .0086 .0011 |
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Na2 .6022 .8753 -.3231 .0333 .0327 .0360 .0314 .0016 .0084 -.0010 |
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C1 .240 .8730 -.0492 .0173 .0170 .0179 .0157 -.0018 .0012 -.0007 |
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C2 .872 .8738 .2092 .0231 .0269 .0165 .0298 -.0016 .0146 -.0004 |
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C3 -.211 .6269 .0466 .0195 .0282 .0168 .0154 .0022 .0087 -.0022 |
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C4 .169 .6262 -.2115 .0249 .0292 .0138 .0303 .0003 .0042 -.0016 |
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O1 .1513 .7890 -.0331 .0229 .0265 .0182 .0254 -.0017 .0092 .0004 |
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O2 .1217 .9532 -.0496 .0234 .0228 .0159 .0328 .0042 .0092 -.0009 |
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O3 .4350 .8794 -.0622 .2741 .0162 .0326 .0329 .0017 .0045 .0038 |
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O4 .0296 .8604 .1608 .0206 .0149 .0257 .0225 -.0000 .0071 -.0026 |
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O5 .6771 .8886 .1516 .0256 .0152 .0279 .0336 .0003 .0053 -.0005 |
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O6 .9090 .8711 .3079 .0330 .0360 .0447 .0215 -.0014 .0135 -.0007 |
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O7 .3325 .4531 -.0506 .0222 .0136 .0186 .0311 -.0032 -.0015 .0008 |
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O8 .6827 .7113 .0332 .0220 .0207 .0191 .0255 -.0006 .0044 .0006 |
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O9 -.0049 .6204 .0612 .0270 .0131 .0324 .0366 -.0026 .0080 -.0035 |
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O10 .0300 .6114 -.1524 .0254 .0171 .0256 .0344 -.0013 .0075 .0033 |
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O11 .3732 .6395 -.1602 .0220 .0145 .0274 .0214 -.0003 -.0015 -.0014 |
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O12 .111 .6278 -.3104 .0330 .0265 .0430 .0254 .0003 -.0024 -.0001 |
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Wat13 .6736 .9851 -.1662 .0261 .0220 .0259 .0273 -.0016 -.0009 .0032 |
|
Wat14 .7168 .7657 -.1714 .0224 .0195 .0216 .0255 .0008 .0039 -.0024 |
|
Wat15 .3380 .5153 .1656 .0281 .0301 .0221 .0363 .0040 .0161 .0054 |
|
Wat16 .3866 .7340 .1714 .0245 .0246 .0238 .0241 -.0024 .0035 -.0004 |
|
Wat17 .778 .5549 .4006 .0374 .0246 .0403 .0451 .0014 .0035 .0007 |
|
Wat18 .605 .7928 .4110 .0404 .0414 .0431 .0399 -.0032 .0158 .0016 |
|
Wat19 .412 .7126 -.4058 .0390 .0387 .0399 .0404 -.0035 .0131 -.0022 |
|
Wat20 .898 .8102 -.3901 .0406 .0328 .0412 .0521 .0014 .0184 .0059 |
|
Wat21 .238 .9481 -.3908 .0382 .0288 .0382 .0498 -.0014 .0139 -.0015 |
|
Wat22 .124 .6902 .3876 .0404 .0310 .0480 .0436 -.0014 .0113 .0073 |
|
Wat23 .704 .5437 .6008 .0418 .0304 .0437 .0503 -.0022 .0077 .0001 |
|
Wat24 .698 .0411 -.4079 .0371 .0279 .0449 .0370 -.0042 .0048 .0013 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bigcreekite |
| |
Basciano L C, Groat L A, Roberts A C, Gault R A, Dunning G E, Walstrom R E |
|
The Canadian Mineralogist 39 (2001) 761-768 |
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Bigcreekite: A new barium silicate mineral species from Fresno County, California |
|
Locality: Fresno County, California, USA |
|
_database_code_amcsd 0005718 |
|
5.0453 9.044 18.366 90 90 90 Pnma |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba .18514 1/4 .55389 .0161 .0245 .0154 .0084 0 .00081 0 |
|
Si .1666 .07197 .20374 .0088 .0098 .0112 .0054 -.0001 .0003 -.0009 |
|
O(1) .3806 .0146 .2649 .0133 .0097 .0153 .0148 -.0014 -.0015 .0032 |
|
O(2) .2139 .0068 .1248 .0157 .0192 .0187 .0091 .0002 .0023 -.0035 |
|
O(3) .1700 1/4 .2039 .0159 .0177 .0124 .0176 0 -.0012 0 |
|
Wat(4) .1945 1/4 .0246 .0217 .0236 .0243 .0171 0 .0013 0 |
|
Wat(5) .2019 .0410 .4410 .0264 .0223 .0408 .0162 -.004 .0018 -.0072 |
|
Wat(6) .254 1/4 .8448 .0395 .0689 .0191 .0306 0 -.0260 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Sewardite |
| |
Roberts A C, Cooper M A, Hawthorne F C, Criddle A J, Stirling J A R |
|
The Canadian Mineralogist 40 (2002) 1191-1198 |
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Sewardite, CaFe2(AsO4)(OH)2, the Ca-analogue of carminite, |
|
from Tsumeb, Namibia: Description and crystal structure |
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Locality: Tsumeb, Namibia |
|
_database_code_amcsd 0005788 |
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16.461 7.434 12.131 90 90 90 Cccm |
|
atom x y z Uiso |
|
Ca1 0 0 1/4 .0185 |
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Ca2 1/4 3/4 0 .0101 |
|
Fe .37896 .1321 .13404 .0056 |
|
As1 .04504 .7447 0 .0054 |
|
As2 .21374 0 1/4 .0048 |
|
O1 .0144 .2246 .1119 .005 |
|
O2 .0885 .529 0 .006 |
|
O3 .1219 -.114 0 .012 |
|
O4 .1511 .1777 .2389 .011 |
|
O5 .2720 -.0150 .1378 .005 |
|
OH6 .1711 .233 0 .005 |
|
OH7 .4243 0 1/4 .017 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
K5Na2Cu24(CO3)16Cl3(OH)20(H2O)12 |
| |
Sokolova E V, Hawthorne F C, Roberts A C |
|
The Canadian Mineralogist 41 (2003) 929-936 |
|
The crystal structure of an anthropogenic Cu-K-Na-hydro-hyddroxyl-carbonate-chloride |
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from Johanngeorgenstadt, Saxony, Germany |
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Locality: Johanngeorgenstadt, Saxony, Germany |
|
_database_code_amcsd 0005865 |
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15.463 15.463 15.463 90 90 90 F23 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu .92670 .92681 .78540 .0353 .0427 .0426 .0207 -.0222 .0000 -.0003 |
|
Na 1/4 1/4 1/4 .044 .044 .044 .044 0 0 0 |
|
K .3838 .6162 .6162 .625 .060 .060 .060 .060 .010 .010 -.010 |
|
C(1) .0923 .9077 .9077 .016 .016 .016 .016 -.005 -.005 .005 |
|
C(2) .8662 .8662 .6339 .023 .023 .023 .023 .002 -.002 -.002 |
|
Cl(1) 1/2 1/2 1/2 .045 .045 .045 .045 0 0 0 |
|
Cl(2) 3/4 3/4 3/4 .5 .038 .038 .038 .038 0 0 0 |
|
O(1) .8746 .0235 .8752 .027 .028 .027 .026 -.011 .004 -.011 |
|
O(2A) .8526 .8141 .5739 .5 .036 .034 .032 .036 .007 -.007 .003 |
|
O(2B) .8134 .8531 .5745 .5 .037 .039 .028 .043 .009 -.001 -.003 |
|
O(3) .8527 .8527 .8527 .014 .014 .014 .014 -.003 -.003 -.003 |
|
O(4) -.0199 .0205 .7250 .5 .038 .06 .034 .023 -.028 .007 -.007 |
|
O(5W) .0939 1/4 1/4 .054 .049 .055 .058 0 0 -.018 |
|
H(1) .816 .816 .816 .022 |
|
H(2) 0 0 .6670 .06 |
|
H(3) .060 .210 .220 .081 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Schlemaite |
|
Forster H J, Cooper M A, Roberts A C, Stanley C J, Criddle A J, |
|
Hawthorne F C, Laflamme J H G, Tischendorf G |
|
The Canadian Mineralogist 41 (2003) 1433-1444 |
|
Schlemaite, (Cu,_)6(Pb,Bi)Se4, a new mineral species from Niederschlema-Alberoda, |
|
Erzgebirge, Germany: Description and crystal structure |
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Locality: Niederschlema-Alberoda, Erzgebirge, Germany |
|
_database_code_amcsd 0005918 |
|
9.5341 4.1004 10.2546 90 100.066 90 P2_1/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu1 -.0872 1/4 -.0409 .035 .048 .020 .042 0 .018 0 |
|
Cu2 .2588 1/4 .0273 .034 .044 .023 .043 0 .026 0 |
|
Cu3 .583 1/4 .474 .54 .024 .013 .036 .024 0 .005 0 |
|
Cu4 .500 .327 -.0849 .92 .044 .038 .056 .034 .014 -.004 -.001 |
|
Cu5 .7127 .075 .7208 .48 .062 .038 .083 .065 .029 .012 .039 |
|
Cu6 .509 1/4 .212 .18 .018 |
|
Cu7 .561 1/4 .891 .07 .010 |
|
Cu8 .537 1/4 .446 .26 .036 |
|
Ag .3457 1/4 .2912 .20 .054 .035 .057 .061 0 -.017 0 |
|
Pb .1178 1/4 .6702 .61 .0354 .0460 .0220 .0425 0 .0200 0 |
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Bi .1178 1/4 .6702 .39 .0354 .0460 .0220 .0425 0 .0200 0 |
|
Se1 .1650 3/4 .4887 .0179 .018 .019 .017 0 .004 0 |
|
Se2 .3008 3/4 -.0880 .0171 .018 .017 .017 0 .0058 0 |
|
Se3 .0883 1/4 .1837 .0188 .024 .017 .017 0 .009 0 |
|
Se4 .5289 3/4 .3268 .0238 .024 .030 .020 0 .009 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Nevadaite |
| |
Cooper M A, Hawthorne F C, Roberts A C, Foord E E, Erd R C, Evans H T, Jensen M C |
|
The Canadian Mineralogist 42 (2004) 741-752 |
|
Nevadaite, (Cu,_,Al,V)6[Al8(PO4)8F8](OH)2(H2O)22, a new phosphate mineral |
|
from the Gold Quarry Mine, Carlin, Eureka County, Nevada: |
|
Description and crystal structure |
|
Locality: Gold Quarry Mine, Carlin, Eureka County, Nevada, USA |
|
_database_code_amcsd 0005936 |
|
12.123 18.999 4.9613 90 90 90 P2_1mn |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CuM1 .5774 .5 .2888 .5 .033 .055 .011 .032 0 .015 0 |
|
CuM2 .5934 .5 .7206 .3 .0288 .057 .004 .025 0 -.027 0 |
|
VM2 .5934 .5 .7206 .2 .0288 .057 .004 .025 0 -.027 0 |
|
CuM3 .4258 0 .7098 .2 .0082 .015 .005 .004 0 .006 0 |
|
VM3 .4258 0 .7098 .3 .0082 .015 .005 .004 0 .006 0 |
|
AlM3 .4258 0 .7098 .5 .0082 .015 .005 .004 0 .006 0 |
|
Al1 .5 .2502 -.0017 .0074 .0086 .0074 .0063 .0003 .0000 .0000 |
|
Al2 .749 .19131 .2619 .0097 .0069 .0139 .0084 .001 -.001 .0034 |
|
P1 .5192 .1467 .4955 .0088 .0099 .0084 .0082 -.0004 .0012 .0011 |
|
P2 .4817 .3545 .4960 .0088 .0099 .0084 .0082 -.0004 .0012 .0011 |
|
F1 .6464 .2346 .051 .0133 .0106 .0166 .013 -.004 .003 .0037 |
|
F2 .8512 .2360 .059 .0133 .0106 .0166 .013 -.004 .003 .0037 |
|
O1 .6451 .1448 .450 .0163 .0086 .020 .021 -.0005 .0030 .009 |
|
O2 .4753 .0709 .456 .0163 .028 .0102 .010 -.0065 -.001 -.0002 |
|
O3 .4591 .1961 .291 .0093 .0109 .0101 .007 .0031 .0012 .0043 |
|
O4 .4910 .1700 .788 .0116 .0157 .0101 .0089 -.0026 .0028 -.0021 |
|
O5 .3570 .3497 .533 .0163 .0086 .020 .021 -.0005 .0030 .009 |
|
O6 .5217 .4295 .524 .0163 .028 .0102 .010 -.0065 -.001 -.0002 |
|
O7 .5378 .3062 .697 .0093 .0109 .0101 .007 .0031 .0012 .0043 |
|
O8 .5092 .3322 .212 .0116 .0157 .0101 .0089 -.0026 .0028 -.0021 |
|
Wat9 .7496 .2736 .4979 .0175 .015 .0193 .0181 -.006 .003 -.005 |
|
Wat10 .7582 .1156 -.0122 .0175 .015 .0193 .0181 -.006 .003 -.005 |
|
Wat11 .6449 .4244 .009 .8 .0277 .027 .013 .042 .003 -.001 .000 |
|
OH11 .6449 .4244 .009 .1 .0277 .027 .013 .042 .003 -.001 .000 |
|
F11 .6449 .4244 .009 .1 .0277 .027 .013 .042 .003 -.001 .000 |
|
Wat12 .3690 .0663 .975 .8 .0277 .027 .013 .042 .003 -.001 .000 |
|
OH12 .3690 .0663 .975 .1 .0277 .027 .013 .042 .003 -.001 .000 |
|
F12 .3690 .0663 .975 .1 .0277 .027 .013 .042 .003 -.001 .000 |
|
Wat13 .404 .5 .008 .109 .08 .084 .16 0 .001 0 |
|
Wat14 .7225 .5 .528 .8 .039 .044 .025 .049 0 -.005 0 |
|
OH14 .7225 .5 .528 .1 .039 .044 .025 .049 0 -.005 0 |
|
F14 .7225 .5 .528 .1 .039 .044 .025 .049 0 -.005 0 |
|
Wat15 .597 0 .998 .62 .022 |
|
Wat16 .546 0 .998 .38 .022 |
|
Wat17 .705 0 .635 .26 .075 |
|
Wat18 .768 0 .460 .56 .075 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Putzite |
| |
Paar W H, Roberts A C, Berlepsch P, Armbruster T, Topa D, Zagler G |
|
The Canadian Mineralogist 42 (2004) 1757-1769 |
|
Putzite, (Cu4.7Ag3.3)8GeS6, a new mineral species, from Capillitas, Catamarca, |
|
Argentina: Description and crystal structure |
|
Locality: Capillitas, Catamarca, Argentina |
|
_database_code_amcsd 0005995 |
|
10.1250 10.1250 10.1250 90 90 90 F-43m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ge1 0 .5 0 .0127 .0127 .0127 .0127 0 0 0 |
|
Cu1 .25 .75 .9804 .5 .059 .072 .072 .034 -.039 0 0 |
|
Ag1 .3279 .4713 .1721 .25 .072 .064 .086 .064 -.005 -.021 .005 |
|
Cu2 .355 .564 .145 .14 .118 |
|
Ag2 .355 .564 .145 .04 .118 |
|
S1 .1250 .6250 .1250 .0208 .0208 .0208 .0208 -.0064 -.0064 -.0064 |
|
S2 .25 .75 .75 .051 .051 .051 .051 0 0 0 |
|
S3 .5206 .5206 .0206 .25 .023 .023 .023 .023 -.006 -.006 -.006 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Catamarcaite |
| |
Putz H, Paar W H, Topa D, Makovicky E, Roberts A C |
|
The Canadian Mineralogist 44 (2006) 1481-1497 |
|
Catamarcaite, Cu6GeWS8, a new germanium sulfide mineral species from |
|
Capillitas, Catamarca, Argentina: Description, paragenesis and crystal structure |
|
Locality: Capillitas, Catamarca, Argentina |
|
_database_code_amcsd 0006132 |
|
7.5238 7.5238 12.390 90 90 120 P6_3mc |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu1 .8402 .1598 .1049 .0177 .022 .022 .013 .0137 -.0016 .0016 |
|
Cu2 .5044 .4956 .3536 .0189 .0197 .0197 .0166 .0094 .0015 -.0015 |
|
Ge 0 0 .3513 .0085 .0100 .0100 .006 .0050 0 0 |
|
W 1/3 2/3 .4810 .0085 .0103 .0103 .0051 .0051 0 0 |
|
S1 1/3 2/3 .3002 .016 .020 .020 .009 .010 0 0 |
|
S2 .5032 .4969 .0419 .0142 .016 .016 .009 .006 -.0016 .0016 |
|
S3 .8381 .6763 .29044 .011 .012 .010 .010 .005 -.0002 -.001 |
|
S4 0 0 .5311 .011 .015 .015 .004 .007 0 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ferroericssonite |
| |
Kampf A R, Roberts A C, Venance K E, Dunning G E, Walstrom R E |
| |
The Canadian Mineralogist 49 (2011) 587-594 |
|
Ferroericssonite, the Fe2+ analogue of ericssonite, from eastern Fresno County, California, U.S.A. |
|
Locality: Esquire #8 claim, Big Creek, eastern Fresno County, California, USA |
|
_database_code_amcsd 0018382 |
|
20.3459 7.0119 5.3879 90 94.874 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba .225048 0 .24144 .00956 .0113 .0081 .0093 0 .00105 0 |
|
Fe1 0 .26153 0 .0121 .0150 .0126 .0091 0 .0033 0 |
|
Fe2 0 0 .5 .0124 .0147 .0118 .0106 0 .0004 0 |
|
Fe3 0 .5 .5 .0107 .0139 .0106 .0082 0 .0038 0 |
|
Fe4 .14026 .5 .21580 .0068 .0088 .0060 .0057 0 .0007 0 |
|
Si .13431 .22566 .7125 .0062 .0086 .0052 .0047 .0005 .0002 .0002 |
|
OH1 .0555 0 .1802 .77 .038 .073 .025 .017 0 .006 0 |
|
Cl1 .0555 0 .1802 .23 .038 .073 .025 .017 0 .006 0 |
|
O2 .1574 0 .7195 .0126 .012 .006 .019 0 .0021 0 |
|
O3 .05466 .2455 .6846 .0099 .0085 .0111 .0101 .0015 .0015 -.0008 |
|
O4 .16858 .3090 .9732 .0105 .0135 .0103 .0076 -.0005 .0008 -.0007 |
|
O5 .16897 .3092 .4761 .0105 .0125 .0105 .0086 .0007 .0013 .0028 |
|
O6 .0497 .5 .1922 .0101 .009 .011 .010 0 .0030 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Georgerobinsonite |
| |
Cooper M A, Ball N A, Hawthorne F C, Paar W H, Roberts A C, Moffatt E |
| |
The Canadian Mineralogist 49 (2011) 865-876 |
|
Georgerobinsonite, Pb4(CrO4)2(OH)2FCl, a new chromate mineral from the |
|
Mammoth-St. Anthony mine, Tiger, Pinal County, Arizona: description and crystal structure |
|
Locality: Mammoth-St. Anthony mine, Tiger, Pinal County, Arizona, USA |
|
_database_code_amcsd 0018387 |
|
7.6256 11.6081 6.8961 90 90 90 *Pmmn |
|
.25 .25 0 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb(1) .25 .59690 .12642 .02183 .0256 .0233 .0166 0 0 -.0031 |
|
Pb(2) .50242 .25 .41670 .02025 .0147 .0239 .0221 0 -.00089 0 |
|
Cr .25 .49812 .6485 .0129 .0134 .0135 .0117 0 0 -.0015 |
|
Cl .25 .2284 .0720 .5 .0217 |
|
F .75 .25 .1327 .027 .035 .034 .011 0 0 0 |
|
O(1) .4226 .5121 .7804 .0264 .023 .033 .023 .006 -.003 -.006 |
|
O(2) .25 .6070 .4931 .0232 .028 .021 .021 0 0 -.000 |
|
O(3) .25 .3763 .5289 .0235 .023 .016 .032 0 0 -.003 |
|
Oh4 .4388 .75 .2306 .0166 .014 .019 .016 0 -.001 0 |
|
H .550 .75 .159 .02 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Gagarinite-(Ce) |
| |
Sciberras M J, Leverett P, Williams P A, Hibbs D E, Roberts A C, Grice J D |
| |
The Canadian Mineralogist 49 (2011) 1111-1114 |
|
The single-crystal X-ray structure of gagarinite-(Ce) |
|
Locality: Strange Lake deposit, Quebec-Labrador, Canada |
|
_database_code_amcsd 0018644 |
|
6.0861 6.0861 3.6810 90 90 120 P6_3/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ce 2/3 1/3 .25 .275 .006 .007 .007 .003 .0035 0 0 |
|
La 2/3 1/3 .25 .143 .006 .007 .007 .003 .0035 0 0 |
|
Nd 2/3 1/3 .25 .099 .006 .007 .007 .003 .0035 0 0 |
|
Y 2/3 1/3 .25 .044 .006 .007 .007 .003 .0035 0 0 |
|
Gd 2/3 1/3 .25 .033 .006 .007 .007 .003 .0035 0 0 |
|
Sm 2/3 1/3 .25 .011 .006 .007 .007 .003 .0035 0 0 |
|
Dy 2/3 1/3 .25 .006 .006 .007 .007 .003 .0035 0 0 |
|
Ca 2/3 1/3 .25 .45 .006 .007 .007 .003 .0035 0 0 |
|
Na 0 0 0 .45 .012 .002 .002 .033 .001 0 0 |
|
F .3046 .3890 .25 .008 .008 .008 .008 .004 0 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Groatite |
|
Cooper M A, Hawthorne F C, Ball N A, Ramik R A, Roberts A C |
| |
The Canadian Mineralogist 47 (2009) 1225-1235 |
|
Groatite, NaCaMn2(PO4)[PO3(OH)]2, a new mineral species of the alluaudite group |
|
from the Tanco Pegmatite, Bernic Lake, Manitoba, Canada: Description and |
|
crystal structure |
|
Locality: Tanco Pegmatite, Bernic Lake, Manitoba, Canada |
|
_database_code_amcsd 0006298 |
|
12.5435 12.4324 6.7121 90 115.332 90 C2/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
NaA2 0 -.0439 .25 .0284 .0196 .0455 .0152 0 .0029 0 |
|
CaM1 0 .28883 .25 .0119 .0116 .0098 .0155 0 .0070 0 |
|
MnM2 .28243 .66313 .36073 .01008 .0111 .0080 .0112 .0001 .0049 .0002 |
|
PT1 0 .68999 .25 .0085 .0090 .0078 .0081 0 .0031 0 |
|
PT2 .21416 .89604 .11515 .0089 .0104 .0070 .0091 .0000 .0041 .0000 |
|
O1 .4548 .7384 .5439 .0119 .0117 .0132 .0094 .0002 .0032 -.0019 |
|
O2 .0980 .6176 .2399 .0136 .0111 .0094 .0198 .0006 .0062 -.0009 |
|
O3 .3403 .6683 .0986 .0129 .0161 .0117 .0114 -.0018 .0064 -.0003 |
|
Oh4 .1528 .4220 .3401 .0144 .0121 .0085 .0226 .0023 .0074 .0011 |
|
O5 .2178 .8289 .3081 .0115 .0105 .0115 .0110 .0010 .0032 .0005 |
|
O6 .3501 .5020 .4042 .0127 .0120 .0093 .0163 -.0006 .0057 .0020 |
|
H .128 .4970 .305 .07 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ca[Zn8(SO4)2(OH)12Cl2](H2O)9 |
| |
Burns P C, Roberts A C, Nikischer A J |
| |
European Journal of Mineralogy 10 (1998) 923-930 |
|
The crystal structure of Ca[Zn8(SO4)2(OH)12Cl2](H2O)9, |
|
a new phase from slag dumps at Val Varenna, Italy |
|
Locality: slag dumps at Val Varenna, Italy |
|
_database_code_amcsd 0006760 |
|
8.3797 8.3797 68.123 90 90 120 R-3c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca 2/3 1/3 1/12 .0267 .0302 .0302 .0195 .0151 0 0 |
|
Zn1 .2858 .4153 -.00096 .0177 .0122 .0136 .0278 .0069 .0002 .0018 |
|
Zn2 0 0 -.02619 .0177 .0143 .0143 .0245 .0071 0 0 |
|
S 1/3 2/3 .04197 .0192 .0177 .0177 .0221 .0089 0 0 |
|
O1 1/3 2/3 .0198 .0199 .0193 .0193 .0210 .0096 0 0 |
|
O2 .3082 .8183 .04895 .0323 .0581 .0333 .0194 .0333 -.0070 -.0073 |
|
O3 .4789 .3748 .01361 .0155 .0146 .0129 .0197 .0075 -.0012 .0012 |
|
O4 -.1885 .0570 -.01731 .0190 .0212 .0177 .0237 .0138 -.0007 .0012 |
|
Cl 0 0 -.05949 .0335 .0369 .0369 .0266 .0185 0 0 |
|
Wat5 .8800 .5548 .05820 .0437 .0418 .0369 .0453 .0144 .0081 .0063 |
|
Wat6 2/3 .6411 1/12 .0524 .0619 .0468 .0535 .0309 .0026 .0013 |
|
H1 .48 .36 .024 .05 |
|
H2 -.22 .08 -.026 .05 |
|
H3 .91 .64 .060 .05 |
|
|
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Paganoite |
| |
Roberts A C, Burns P C, Gault R A, Criddle A J, Feinglos M N, Stirling J A R |
| |
European Journal of Mineralogy 13 (2001) 167-175 |
|
Paganoite, NiBiAsO5, a new mineral from Johanngeorgenstadt, |
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Saxony, Germany: description and crystal structure |
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Locality: Johanngeorgenstadt, Saxony, Germany |
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_database_code_amcsd 0006855 |
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6.7127 6.8293 5.2345 107.625 95.409 111.158 P-1 |
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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) |
|
Ni .3634 .7345 .8307 .0133 .0099 .0170 .0129 .0057 .0023 .0049 |
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Bi .23608 .96812 .40945 .0127 .0077 .0183 .0134 .0067 .0036 .0055 |
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As .1864 .3875 .1578 .0108 .0072 .0144 .0108 .0051 .0015 .0038 |
|
O1 .501 .050 .770 .0118 .0070 .0237 .0070 .0095 .0024 .0047 |
|
O2 .228 .628 .416 .0119 .0122 .0149 .0128 .0087 .0048 .0065 |
|
O3 .235 .423 .864 .0167 .0176 .0148 .0194 .0097 .0034 .0051 |
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O4 -.083 .202 .084 .0145 .0111 .0166 .0160 .0055 .0045 .0061 |
|
O5 .347 .275 .268 .0163 .0087 .0204 .0237 .0080 .0048 .0103 |
|
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Jadarite |
| |
Whitfield P S, Le Page Y, Grice J D, Stanley C J, Jones G C, Rumsey M S, |
|
Blake C, Roberts A C, Stirling J A R, Carpenter G J C |
 |
Acta Crystallographica B63 (2007) 396-401 |
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LiNaSiB3O7(OH) - novel structure of the new borosilicate mineral jadarite |
|
determined from laboratory powder diffraction data |
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Locality: Jadar basin, Serbia |
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_database_code_amcsd 0009954 |
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6.7620 13.8016 7.6878 90 124.089 90 P2_1/c |
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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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Li .462 .1995 .1383 .046 |
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Na .9733 .99060 .7544 .0764 .091 .0657 .081 .01 .038 -.0046 |
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Si .0378 .7539 .2048 .0584 |
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B1 .2096 .1602 .6623 .091 |
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B2 .6920 .3493 .4160 .054 |
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B3 .5290 .5022 .7860 .0947 .046 .158 .098 .016 .043 .078 |
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O1 .8157 .7241 .9895 .0651 |
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O2 .2673 .7818 .2102 .0663 |
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O3 .9733 .8483 .2873 .0581 |
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O4 .1150 .6584 .3491 .0542 |
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O5 .7457 .5506 .8761 .0708 |
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O6 .6846 .4560 .3520 .0570 |
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O7 .5489 .6725 .6198 .0634 |
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O8 .5299 .4051 .8362 .0733 |
|
H .699 .3993 .936 .0953 |
|
|
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|
Voggite |
|
Szymanski J T, Roberts A C |
|
Mineralogical Magazine 54 (1990) 495-500 |
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The crystal structure of voggite, a new hydrated |
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Na-Zr hydroxide-phosphate-carbonate mineral |
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Locality: Francon quarry, Montreal, Quebec, Canada |
|
_database_code_amcsd 0014492 |
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12.261 6.561 11.757 90 116.19 90 I2/m |
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atom x y z Biso |
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Na .5226 .2434 .1695 2.85 |
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Zr .15686 0 .04209 .49 |
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P .24436 .5 .12768 .60 |
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C .2910 0 -.0855 .99 |
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O1 .1749 .3135 .0501 1.03 |
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O2 .2624 0 .2439 .97 |
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O3 .3756 .5 .1445 1.13 |
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O4 .6521 0 .1516 1.73 |
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O5 .3412 0 .0378 1.23 |
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O6 .1721 0 -.1370 1.49 |
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OH .0181 0 .1062 .85 |
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Wat1 .5085 0 .3037 1.90 |
|
Wat2 .6304 .5 .1030 1.91 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bobkingite |
| |
Hawthorne F C, Cooper M A, Grice J D, Roberts A C, Hubbard N |
|
Mineralogical Magazine 66 (2002) 301-311 |
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Description and crystal structure of bobkingite, (Cu2+)5Cl2(OH)8(H2O)2, |
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a new mineral from New Cliffe Hill Quarry, Stanton-under-Bardon, Leicestershire, UK |
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Locality: New Cliffe Hill Quarry, Stanton-under-Bardon, Leicestershire, UK |
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_database_code_amcsd 0018486 |
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10.3113 6.7606 8.8386 90 111.468 90 C2/m |
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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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Cu1 .5 .5 0 .0100 .0104 .0102 .0113 0 .0061 0 |
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Cu2 .46706 .5 .32367 .0135 .0175 .0127 .0097 0 .0043 0 |
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Cu3 .25 .25 0 .0116 .0133 .0093 .0121 -.0013 .0044 .0006 |
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Cl .1835 .5 .2129 .0163 .0138 .0173 .0192 0 .0078 0 |
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O1 .4469 .3104 .1456 .0139 .0146 .0124 .0143 .0033 .0049 -.0012 |
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O2 .2661 .5 -.1032 .0178 .0339 .0108 .0084 0 .0073 0 |
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O3 .5 .3127 .5 .0224 .0345 .0173 .0135 0 .0066 0 |
|
Wat4 .1931 .5 .5669 .0414 .0637 .0405 .0193 0 .0143 0 |
|
H1 .512 .199 .170 .03 |
|
H2 .254 .5 -.219 .03 |
|
H3 .437 .199 .470 .5 .03 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Petewilliamsite |
| |
Roberts A C, Burns P C, Gault R A, Criddle A J, Feinglos M N |
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Mineralogical Magazine 68 (2004) 231-240 |
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Petewilliamsite, (Ni,Co)30(As2O7)15, a new mineral from Johanngeorgenstadt, |
|
Saxony, Germany: description and crystal structure |
|
Locality: Johanngeorgenstadt, Saxony, Germany |
|
_database_code_amcsd 0014571 |
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33.256 8.482 14.191 90 104.145 90 C2 |
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atom x y z occ Uiso |
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NiM1 0 .0115 0 .47 .008 |
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CoM1 0 .0115 0 .45 .008 |
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CuM1 0 .0115 0 .08 .008 |
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NiM2 0 -.6131 0 .47 .057 |
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CoM2 0 -.6131 0 .45 .057 |
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CuM2 0 -.6131 0 .08 .057 |
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NiM3 .2988 -.4884 .3348 .47 .008 |
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CoM3 .2988 -.4884 .3348 .45 .008 |
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CuM3 .2988 -.4884 .3348 .08 .008 |
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NiM4 .3957 .0096 .0042 .47 .011 |
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CoM4 .3957 .0096 .0042 .45 .011 |
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CuM4 .3957 .0096 .0042 .08 .011 |
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NiM5 .4029 .0108 -.6690 .47 .011 |
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CoM5 .4029 .0108 -.6690 .45 .011 |
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CuM5 .4029 .0108 -.6690 .08 .011 |
|
NiM6 .3058 .5075 -.3386 .47 .014 |
|
CoM6 .3058 .5075 -.3386 .45 .014 |
|
CuM6 .3058 .5075 -.3386 .08 .014 |
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NiM7 .4955 .5044 -.3287 .47 .022 |
|
CoM7 .4955 .5044 -.3287 .45 .022 |
|
CuM7 .4955 .5044 -.3287 .08 .022 |
|
NiM8 .1995 .0012 .0002 .47 .038 |
|
CoM8 .1995 .0012 .0002 .45 .038 |
|
CuM8 .1995 .0012 .0002 .08 .038 |
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NiM9 .0909 .5000 .3452 .47 .000 |
|
CoM9 .0909 .5000 .3452 .45 .000 |
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CuM9 .0909 .5000 .3452 .08 .000 |
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NiM10 .3022 -.1227 -.0018 .47 .007 |
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CoM10 .3022 -.1227 -.0018 .45 .007 |
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CuM10 .3022 -.1227 -.0018 .08 .007 |
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NiM11 .3994 .3776 -.3323 .47 .015 |
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CoM11 .3994 .3776 -.3323 .45 .015 |
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CuM11 .3994 .3776 -.3323 .08 .015 |
|
NiM12 .4956 -.1221 -.6631 .47 .008 |
|
CoM12 .4956 -.1221 -.6631 .45 .008 |
|
CuM12 .4956 -.1221 -.6631 .08 .008 |
|
NiM13 .2053 -.6212 .3289 .47 .010 |
|
CoM13 .2053 -.6212 .3289 .45 .010 |
|
CuM13 .2053 -.6212 .3289 .08 .010 |
|
NiM14 .0960 -.1187 .0041 .47 .021 |
|
CoM14 .0960 -.1187 .0041 .45 .021 |
|
CuM14 .0960 -.1187 .0041 .08 .021 |
|
NiM15 .6066 .3832 -.3408 .47 .023 |
|
CoM15 .6066 .3832 -.3408 .45 .023 |
|
CuM15 .6066 .3832 -.3408 .08 .023 |
|
NiM16 .3093 -.1135 -.6787 .47 .002 |
|
CoM16 .3093 -.1135 -.6787 .45 .002 |
|
CuM16 .3093 -.1135 -.6787 .08 .002 |
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As1 .3558 -.3240 -.8027 .009 |
|
As2 .4430 -.3235 .1375 .007 |
|
As3 .3451 -.8251 .4677 .009 |
|
As4 .0458 -.3249 .1331 .012 |
|
As5 .0544 .2082 .1994 .020 |
|
As6 .2452 -.2922 .1348 .019 |
|
As7 .3433 .2072 -.1957 .019 |
|
As8 .2540 -.8237 .2012 .018 |
|
As9 .2427 -.3211 .4715 .010 |
|
As10 .1573 -.3155 -.1386 .019 |
|
As11 -.0429 .6813 .1946 .016 |
|
As12 .3573 -.2948 -.1383 .019 |
|
As13 .4560 .2063 -.4692 .016 |
|
As14 .3546 -.2966 .5321 .024 |
|
As15 .4450 -.3124 -.5323 .023 |
|
O1 .4456 -.1440 -.5960 .020 |
|
O2 -.0791 .7030 .0920 .020 |
|
O3 -.0505 .5310 .2600 .020 |
|
O4 .4217 .2040 -.5780 .020 |
|
O5 .3214 -.2920 .4240 .020 |
|
O6 .4776 -.3050 -.4240 .020 |
|
O7 .0222 .2090 .0900 .020 |
|
O8 .2222 -.8110 .0920 .020 |
|
O9 .2521 -.4710 .4060 .020 |
|
O10 .3785 .2000 -.0910 .020 |
|
O11 .2562 -.6470 .2600 .020 |
|
O12 .3785 -.8140 .5750 .020 |
|
O13 .4496 .3610 -.4010 .020 |
|
O14 .1207 -.2950 -.2400 .020 |
|
O15 .3213 -.3080 -.9090 .020 |
|
O16 .2792 -.3010 .5740 .020 |
|
O17 .3492 .3610 -.2630 .020 |
|
O18 .3529 -.4680 .5890 .020 |
|
O19 .0789 -.3120 .2410 .020 |
|
O20 .3538 -.1440 -.0700 .020 |
|
O21 .0409 -.1500 .0740 .020 |
|
O22 .3386 -.6510 .4080 .020 |
|
O23 .3645 -.1530 -.7420 .020 |
|
O24 .2492 -.1350 .0680 .020 |
|
O25 .0556 .0380 .2560 .020 |
|
O26 .3453 -.4770 -.7370 .020 |
|
O27 .4338 -.1530 .0760 .020 |
|
O28 .2424 -.4590 .0770 .020 |
|
O29 .0558 .3550 .2640 .020 |
|
O30 .3353 .0580 -.2490 .020 |
|
O31 .3561 -.9820 .3990 .020 |
|
O32 .4550 .0330 -.4080 .020 |
|
O33 .4522 -.4720 .0700 .020 |
|
O34 .1508 -.4680 -.0740 .020 |
|
O35 .2361 -.1550 .4060 .020 |
|
O36 .4785 -.3080 .2420 .020 |
|
O37 .5 .2320 .5 .020 |
|
O38 .3214 -.3050 -.2420 .020 |
|
O39 .1949 -.2150 .1314 .020 |
|
O40 .2775 -.2920 .2450 .020 |
|
O41 .3972 -.3970 .1560 .020 |
|
O42 .3009 -.8940 .4970 .020 |
|
O43 .1059 .2120 .1990 .020 |
|
O44 .0000 -.3950 .1470 .020 |
|
O45 .0548 -.4840 .0670 .020 |
|
O46 .2450 -.9870 .2720 .020 |
|
O47 .3524 -.1300 .6030 .020 |
|
O48 .1658 -.1570 -.0850 .020 |
|
O49 .3982 -.3870 .4700 .020 |
|
O50 -.0322 .8370 .2510 .020 |
|
O51 .3013 -.8710 .1890 .020 |
|
O52 .4519 -.4870 -.6030 .020 |
|
O53 .3596 -.4580 -.0760 .020 |
|
|
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|
| |
|
Kingstonite |
| |
Stanley C J, Criddle A J, Spratt J, Roberts A C, Szymanski J T, Welch M D |
|
Mineralogical Magazine 69 (2005) 447-453 |
|
Kingstonite, (Rh,Ir,Pt)3S4, a new mineral species from Yubdo, Ethiopia |
|
Locality: Bir Bir River, Yubdo District, Wallaga Province, Ethiopia |
|
_database_code_amcsd 0014575 |
|
10.4616 10.7527 6.2648 90 109.000 90 C2/m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Rh1 .36578 .14279 .95211 .75 .0055 .0064 .0066 -.0004 .0024 -.0005 |
|
Ir1 .36578 .14279 .95211 .25 .0055 .0064 .0066 -.0004 .0024 -.0005 |
|
Rh2 .64989 0 .44360 .90 .0049 .0061 .0070 0 .0021 0 |
|
Ir2 .64989 0 .44360 .10 .0049 .0061 .0070 0 .0021 0 |
|
Rh3 0 0 0 .64 .0039 .0057 .0042 0 .0015 0 |
|
Ir3 0 0 0 .36 .0039 .0057 .0042 0 .0015 0 |
|
Rh4 0 .16031 .5 .69 .0048 .0047 .0050 0 .0013 0 |
|
Ir4 0 .16031 .5 .31 .0048 .0047 .0050 0 .0013 0 |
|
S1 .41625 0 .23612 .0055 .0084 .0051 0 -.0006 0 |
|
S2 .87342 .15705 .11257 .0048 .0062 .0075 .0018 .0019 .0006 |
|
S3 .11639 0 .39114 .0119 .0085 .0056 0 .0046 0 |
|
S4 .14923 .28955 .40093 .0071 .0078 .0056 -.0033 .0023 .0002 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Carlosbarbosaite |
| |
Atencio D, Roberts A C, Cooper M A, Menezes L A D, Coutinho J M V, |
|
Stirling J A R, Venance K E, Ball N A, Moffatt E, Chaves M L S C, |
|
Brandao P R G, Romano A W |
| |
Mineralogical Magazine 76 (2012) 75-90 |
|
Carlosbarbosaite, ideally (UO2)2Nb2O6(OH)2*2H2O, a new hydrated uranyl |
|
niobate mineral with tunnels from Jaguaracu, Minas Gerais, Brazil: |
|
description and crystal structure |
|
Locality: Jaguaracu, Minas Gerais, Brazil |
|
_database_code_amcsd 0018664 |
|
14.150 10.395 7.529 90 90 90 Cmcm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U .26634 .27203 .25 .72 .0343 .0279 .0507 .0244 -.0115 0 0 |
|
Nb .38296 .5 0 .40 .0281 .0133 .0443 .0267 0 0 -.0001 |
|
Ta .38296 .5 0 .26 .0281 .0133 .0443 .0267 0 0 -.0001 |
|
Si .38296 .5 0 .13 .0281 .0133 .0443 .0267 0 0 -.0001 |
|
Ti .38296 .5 0 .11 .0281 .0133 .0443 .0267 0 0 -.0001 |
|
Al .38296 .5 0 .05 .0281 .0133 .0443 .0267 0 0 -.0001 |
|
Fe .38296 .5 0 .05 .0281 .0133 .0443 .0267 0 0 -.0001 |
|
Ca .5 .0127 .25 .28 .057 .055 .051 .066 0 0 0 |
|
Nd .5 .0127 .25 .02 .057 .055 .051 .066 0 0 0 |
|
Ce .5 .0127 .25 .02 .057 .055 .051 .066 0 0 0 |
|
O(1) .3622 .1709 .25 .061 .097 .062 .023 -.047 0 0 |
|
O(2) .1633 .3780 .25 .047 .048 .058 .035 -.000 0 0 |
|
O(3) .3020 .3571 -.0398 .035 .026 .052 .027 -.015 -.003 .008 |
|
O(4) .3758 .4471 .25 .026 .022 .042 .015 -.001 0 0 |
|
OH .5 .6106 .0547 .033 .027 .051 .022 0 0 .003 |
|
Wat .5 .126 -.022 .096 .12 .10 .075 0 0 -.001 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hanawaltite |
|
Roberts A C, Grice J D, Gault R A, Criddle A J, Erd R C |
| |
Powder Diffraction 11 (1996) 45-50 |
|
Hanawaltite, Hg1+6Hg2+[Cl,(OH)]2O3 - A new mineral from |
|
the Clear Creek claim, San Benito County, California: |
|
Description and crystal structure |
|
Locality: Clear Creek claim, San Benito County, California |
|
_database_code_amcsd 0015316 |
|
11.777 13.891 6.460 90 90 90 Pbma |
|
atom x y z Uiso |
|
Hgl .1167 .5831 .4712 .012 |
|
Hg2 .2911 .6295 .6759 .019 |
|
Hg3 .0378 .75 .134 .016 |
|
Hg4 .2448 .25 .151 .022 |
|
Hg5 0 .5 0 .010 |
|
Cl1 .25 .5 .084 .014 |
|
Cl2 .44095 .75 .329 .036 |
|
O1 .344 .75 -.10 .02 |
|
O2 -.020 .545 .28 .02 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Lafossaite |
| |
Roberts A C, Venance K E, Seward T M, Grice J D, Paar W H |
| |
The Mineralogical Record 37 (2006) 165-168 |
|
Lafossaite, a new mineral from the La Fossa Crater, Vulcano, Italy |
|
Locality: La Fossa Crater, Vulcano, Italy |
|
_database_code_amcsd 0018089 |
|
3.901 3.901 3.901 90 90 90 Pm3m |
|
atom x y z |
|
Tl 0 0 0 |
|
Cl .5 .5 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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