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Juabite |
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Burns P C, Clark C M, Gault R A |
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The Canadian Mineralogist 38 (2000) 809-816 |
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Juabite, CaCu10(TeO3)4(AsO4)4(OH)2(H2O)4: Crystal structure and revision |
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of the chemical formula |
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_database_code_amcsd 0005685 |
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8.9903 10.1197 8.9959 102.654 92.432 70.432 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) |
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Ca 1/2 1/2 0 .0248 .0468 .0188 .0059 -.0083 -.0050 .0018 |
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Cu(1) -.1919 .7993 .0021 .0117 .0085 .0258 .0029 -.0074 -.0032 .0055 |
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Cu(2) .2967 .8412 -.4883 .0104 .0071 .0222 .0045 -.0063 -.0044 .0065 |
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Cu(3) .3921 .5072 -.3755 .0142 .0124 .0202 .0093 -.0025 -.0036 .0072 |
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Cu(4) .6845 .8487 -.3708 .0129 .0066 .0323 .0031 -.0095 -.0031 .0066 |
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Cu(5) -.0734 .7991 .3909 .0154 .0095 .0340 .0060 -.0104 -.0051 .0073 |
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Te(1) .4568 .8379 -.1518 .0114 .0099 .0216 .0056 -.0081 -.0027 .0047 |
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Te(2) .1303 .8342 .1698 .0196 .0162 .0358 .0108 -.0121 -.0037 .0086 |
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As(1) .0656 .7706 -.2751 .0097 .0056 .0220 .0031 -.0060 -.0040 .0046 |
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As(2) .5743 .7899 -.7274 .0082 .0061 .0178 .0018 -.0046 -.0031 .0041 |
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O(1) -.066 .798 .178 .0167 |
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O(2) -.003 .814 -.095 .0175 |
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O(3) .185 .866 -.290 .0145 |
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O(4) .121 .840 .388 .0176 |
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O(5) -.328 .835 -.163 .0103 |
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O(6) -.091 .820 -.388 .0122 |
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O(7) .469 .848 -.364 .0192 |
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OH(8) .390 .597 -.548 .0166 |
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O(9) .387 .888 -.660 .0104 |
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O(10) .607 .842 -.883 .0095 |
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O(11) .601 .614 -.773 .0131 |
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O(12) .265 .654 .107 .0381 |
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O(13) .163 .594 -.336 .0197 |
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O(14) .704 .818 -.593 .0142 |
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Wat(15) .039 .552 .356 .0439 |
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Wat(16) -.131 .558 -.057 .0527 |
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O(17) .490 .645 -.177 .0169 |
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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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Juabite |
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Kampf A R, Mills S J |
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Journal of Geosciences 56 (2011) 235-247 |
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The role of hydrogen in tellurites: crystal structure refinements of juabite, |
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poughite and rodalquilarite |
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Locality: Gold Chain mine, Tintic district, Juab County, Utah, USA |
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_database_code_amcsd 0018499 |
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8.9925 10.1291 8.9971 102.668 92.490 70.434 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) |
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Ca .5 .5 0 .0174 .0275 .0112 .0096 -.0015 -.0006 .0021 |
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Cu1 .80847 .79847 .00221 .01053 .0082 .0178 .0067 -.0050 -.00123 .00412 |
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Cu2 .29631 .84151 .51172 .00956 .0071 .0152 .0086 -.0056 -.00175 .0044 |
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Cu3 .39218 .50715 .62469 .01284 .0124 .0114 .0135 -.0011 .0011 .0044 |
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Cu4 .68366 .84877 .62919 .01128 .0077 .0217 .0072 -.0073 -.00098 .0049 |
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Cu5 -.07412 .79869 .39124 .01257 .0085 .0242 .0073 -.0082 -.00112 .0039 |
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Te1 .45602 .83827 .84848 .01031 .01015 .01328 .00919 -.00540 .00061 .00333 |
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Te2 .12971 .83488 .17031 .01521 .01358 .02100 .01315 -.00748 .00011 .00520 |
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As1 .06582 .77050 .72526 .00865 .00636 .0130 .00751 -.00388 -.00038 .00318 |
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As2 .57354 .78999 .27256 .00731 .00623 .0102 .00642 -.00332 -.00031 .00284 |
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O1 .9360 .7964 .1772 .0163 .0098 .0325 .0104 -.0104 -.0028 .0076 |
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O2 .9955 .8138 .9048 .0173 .0123 .036 .0066 -.0120 -.0002 .0050 |
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O3 .1835 .8663 .7093 .0134 .0109 .0192 .0120 -.0080 .0002 .0026 |
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O4 .1208 .8388 .3848 .0154 .0104 .0314 .0097 -.0114 -.0031 .0088 |
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O5 .6715 .8349 .8369 .0153 .0097 .0315 .0087 -.0091 -.0018 .0090 |
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O6 .9079 .8216 .6126 .0133 .0077 .0264 .0064 -.0059 -.0009 .0045 |
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O7 .4697 .8485 .6392 .0143 .0119 .0283 .0072 -.0104 -.0028 .0077 |
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O8 .3907 .5973 .4521 .0147 .0136 .0145 .0149 -.0028 -.0017 .0043 |
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H8 .316 .578 .394 .050 |
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O9 .3879 .8893 .3402 .0112 .0061 .0155 .0122 -.0024 .0002 .0054 |
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O10 .6056 .8444 .1173 .0126 .0095 .0204 .0100 -.0044 -.0007 .0082 |
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O11 .5985 .6138 .2261 .0145 .0188 .0111 .0151 -.0060 -.0001 .0047 |
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O12 .2642 .6526 .1042 .0306 .0201 .028 .032 .0003 .0017 -.0051 |
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O13 .1627 .5943 .6638 .0207 .0134 .0134 .034 -.0023 .0010 .0052 |
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O14 .7041 .8183 .4081 .0146 .0083 .0287 .0082 -.0088 -.0015 .0034 |
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OW15 .0394 .5528 .3541 .0405 .045 .028 .049 -.017 -.010 .005 |
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H15a -.035 .513 .335 .050 |
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H15b .088 .544 .439 .050 |
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OW16 .8644 .5590 .9418 .0489 .048 .024 .067 -.010 -.003 .000 |
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H16a .786 .533 .965 .050 |
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H16b .885 .537 .841 .050 |
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O17 .4873 .6464 .8254 .0182 .0255 .0148 .0173 -.0095 -.0030 .0054 |
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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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