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Wolfeite |
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Hatert F |
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Acta Crystallographica C63 (2007) i119-i121 |
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Fe2(PO4)(OH), a synthetic analogue of wolfeite |
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Sample: T = 1063 K, P = 2.5 GPa |
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Locality: synthetic |
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_database_code_amcsd 0010339 |
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12.265 13.197 9.7385 90 108.63 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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Fe1 .18617 .47901 .19376 .01071 .01085 .01028 .0115 .00162 .00421 .00201 |
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Fe2 .19694 .99592 .21291 .01149 .01351 .01112 .0101 .00264 .00419 -.00019 |
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Fe3 .30513 .75256 .29273 .01123 .01163 .01179 .0103 .00277 .00360 -.00060 |
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Fe4 .31951 .26973 .30345 .01105 .01120 .01042 .0117 .00139 .00393 .00247 |
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Fe5 .09624 .07077 .46901 .00972 .01012 .00916 .0101 .00001 .00349 -.00089 |
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Fe6 .08583 .57379 .45225 .01027 .01072 .00859 .0119 -.00026 .00411 -.00101 |
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Fe7 .39418 .67471 .03055 .00993 .01016 .00952 .01050 .00028 .00384 -.00084 |
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Fe8 .42078 .17817 .03819 .00997 .00924 .00860 .0117 .00014 .00278 -.00057 |
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P1 .07905 .82099 .38026 .00676 .0066 .0063 .0075 -.0002 .0024 .0003 |
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P2 .07602 .32635 .38299 .00686 .0074 .0061 .0076 -.0002 .0031 .0002 |
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P3 .42315 .42210 .11279 .00687 .0068 .0061 .0080 .0003 .0027 .0003 |
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P4 .42299 .92823 .11949 .00710 .0071 .0065 .0081 -.0004 .0031 -.0001 |
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O1 .04820 .41441 .4692 .0119 .0148 .0079 .0156 -.0011 .0087 -.0026 |
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O2 .06179 .90778 .4786 .0106 .0135 .0078 .0126 -.0012 .0072 -.0030 |
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O3 .43109 .84131 .01601 .0109 .0123 .0096 .0116 -.0009 .0050 -.0020 |
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O4 .45629 .33759 .02469 .0106 .0128 .0075 .0137 -.0009 .0070 -.0018 |
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O5 .02660 .04732 .24280 .0124 .0098 .0164 .0098 .0012 .0013 .0007 |
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O6 .04222 .55422 .2321 .0128 .0088 .0158 .0128 .0031 .0020 .0003 |
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O7 .46693 .70339 .25990 .0105 .0097 .0125 .0086 .0017 .0019 .0006 |
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O8 .46736 .20329 .25925 .0117 .0130 .0131 .0075 .0031 .0013 -.0002 |
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O9 .17370 .84765 .31467 .0105 .0107 .0086 .0143 .0019 .0068 .0017 |
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O10 .17260 .36039 .3235 .0114 .0113 .0100 .0152 .0023 .0075 .0026 |
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O11 .32383 .38410 .16570 .0106 .0101 .0102 .0139 .0004 .0071 .0026 |
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O12 .33438 .90383 .19549 .0104 .0108 .0106 .0124 .0001 .0075 .0006 |
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O13 .11945 .72824 .48136 .0100 .0124 .0067 .0101 -.0015 .0026 .0015 |
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O14 .11844 .23468 .48289 .0099 .0110 .0080 .0100 -.0002 .0023 .0026 |
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O15 .38401 .02293 .02153 .0111 .0131 .0076 .0123 .0004 .0037 .0012 |
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O16 .37744 .51319 .01106 .0105 .0113 .0083 .0115 .0000 .0031 .0016 |
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O17 .25267 .03010 .4355 .0127 .0122 .0097 .0151 -.0010 .0030 -.0007 |
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O18 .20709 .16164 .1946 .0138 .0158 .0117 .0153 -.0029 .0069 -.0023 |
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O19 .24270 .71909 .0681 .0115 .0109 .0092 .0136 .0004 .0025 .0015 |
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O20 .30206 .58279 .3086 .0136 .0131 .0134 .0157 -.0025 .0067 -.0016 |
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H1 .264 -.026 .453 .081 |
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H2 .152 .169 .215 .031 |
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H3 .234 .769 .055 .054 |
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H4 .361 .573 .279 .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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Wolfeite |
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Kolitsch U |
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Acta Crystallographica E59 (2003) i125-i128 |
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Mg-rich wolfeite, (Fe,Mg)2(PO4)(OH): structure refinement and |
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Raman spectroscopic data |
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Locality: Big Fish River area, Yukon Territory, Canada |
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_database_code_amcsd 0010412 |
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12.274 13.169 9.754 90 108.64 90 P2_1/a |
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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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Fe1 .18625 .479059 .19287 .00980 .00932 .00976 .01031 .00155 .00313 .00193 |
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Fe2 .19712 .996441 .21294 .01034 .01194 .01006 .00902 .00231 .00332 -.00030 |
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Fe3 .30503 .752291 .29253 .00998 .01030 .01092 .00870 .00261 .00302 -.00027 |
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Fe4 .31941 .269768 .30463 .00970 .01000 .00933 .00988 .00135 .00332 .00222 |
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Fe5 .09673 .070820 .46928 .9027 .00829 .00825 .00839 .00808 .00027 .00240 -.00064 |
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Mg5 .09673 .070820 .46928 .0973 .00829 .00825 .00839 .00808 .00027 .00240 -.00064 |
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Fe6 .08530 .573760 .45154 .7596 .00886 .00867 .00781 .01029 -.00013 .00328 -.00088 |
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Mg6 .08530 .573760 .45154 .2404 .00886 .00867 .00781 .01029 -.00013 .00328 -.00088 |
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Fe7 .39431 .674980 .03060 .8138 .00814 .00801 .00822 .00862 .00041 .00326 -.00066 |
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Mg7 .39431 .674980 .03060 .1862 .00814 .00801 .00822 .00862 .00041 .00326 -.00066 |
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Fe8 .42084 .178485 .03902 .8806 .00827 .00724 .00756 .00944 -.00005 .00186 -.00043 |
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Mg8 .42084 .178485 .03902 .1194 .00827 .00724 .00756 .00944 -.00005 .00186 -.00043 |
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P1 .07895 .82096 .38003 .00565 .00545 .00578 .00571 -.00009 .00176 .00009 |
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P2 .07554 .32667 .38279 .00547 .00580 .00500 .00588 -.00005 .00223 .00013 |
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P3 .42320 .42224 .11305 .00546 .00535 .00528 .00568 .00005 .00167 .00015 |
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P4 .42369 .92805 .11974 .00582 .00575 .00600 .00584 -.00029 .00204 .00004 |
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O1 .04746 .41493 .46857 .0105 .0128 .0079 .0132 -.0012 .0076 -.0028 |
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O2 .06154 .90756 .47864 .0095 .0112 .0089 .0097 -.0009 .0049 -.0034 |
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O3 .43160 .84078 .01678 .0097 .0107 .0096 .0103 -.0011 .0054 -.0037 |
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O4 .45635 .33768 .02509 .0094 .0102 .0080 .0111 -.0011 .0049 -.0023 |
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O5 .02635 .04737 .24273 .0107 .0082 .0139 .0087 .0021 .0008 .0012 |
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O6 .04291 .55442 .23235 .0110 .0081 .0158 .0076 .0037 .0005 -.0011 |
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O7 .46682 .70250 .25868 .0098 .0073 .0130 .0082 .0017 .0012 .0003 |
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O8 .46690 .20262 .25864 .0113 .0101 .0147 .0073 .0035 .0001 -.0003 |
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O9 .17393 .84775 .31437 .0094 .0081 .0098 .0117 .0004 .0053 .0012 |
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O10 .17245 .36054 .32331 .0095 .0089 .0097 .0124 .0012 .0068 .0026 |
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O11 .32337 .38398 .16515 .0092 .0077 .0094 .0117 .0011 .0051 .0024 |
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O12 .33522 .90386 .19588 .0094 .0100 .0089 .0116 .0010 .0067 .0012 |
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O13 .11856 .72748 .48034 .0094 .0107 .0076 .0091 .0002 .0021 .0022 |
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O14 .11776 .23476 .48261 .0093 .0105 .0074 .0094 .0010 .0023 .0028 |
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O15 .38512 .02300 .02283 .0095 .0110 .0081 .0093 .0007 .0031 .0020 |
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O16 .37799 .51398 .01303 .0096 .0101 .0076 .0107 .0009 .0028 .0033 |
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O17 .25351 .03131 .43671 .0102 .0087 .0089 .0117 .0007 .0014 .0003 |
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O18 .20613 .16268 .19383 .0113 .0130 .0098 .0110 -.0023 .0038 -.0025 |
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O19 .24283 .71893 .06783 .0095 .0076 .0089 .0109 .0000 .0013 -.0002 |
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O20 .30215 .58247 .30905 .0112 .0129 .0110 .0106 -.0014 .0053 -.0014 |
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H1 .264 -.026 .459 .044 |
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H2 .155 .172 .224 .061 |
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H3 .236 .776 .044 .037 |
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H4 .353 .5759 .276 .038 |
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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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Total number of retrieved datasets: 