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Bobfergusonite |
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Ercit T S, Hawthorne F C, Cerny P |
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The Canadian Mineralogist 24 (1986) 605-614 |
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The crystal structure of bobfergusonite. |
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_database_code_amcsd 0005212 |
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12.776 12.488 11.035 90 97.2 90 P2_1/n |
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atom x y z occ Uiso |
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MnM1 .13194 .23856 -.00190 .92 .0138 |
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MnM2 .62989 .23753 -.00107 .91 .0137 |
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MnM3 .29562 .14643 .72421 .82 .0113 |
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FeM3 .29562 .14643 .72421 .06 .0113 |
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AlM3 .29562 .14643 .72421 .12 .0113 |
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MnM4 .79574 .14588 .72617 .82 .0125 |
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FeM4 .79574 .14588 .72617 .06 .0125 |
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AlM4 .79574 .14588 .72617 .12 .0125 |
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FeM5 .46125 .16153 .27999 .48 .0108 |
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AlM5 .46125 .16153 .27999 .34 .0108 |
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FeM5 .46125 .16153 .27999 .04 .0108 |
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MgM5 .46125 .16153 .27999 .09 .0108 |
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ZnM5 .46125 .16153 .27999 .05 .0108 |
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AlM6 .96067 .16220 .27950 .80 .0098 |
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FeM6 .96067 .16220 .27950 .20 .0098 |
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MnX1 .24944 .00103 -.00188 .81 .0280 |
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CaX1 .24944 .00103 -.00188 .19 .0280 |
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NaX2 0 0 0 .85 .0309 |
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NaX3 .5 0 0 .81 .0307 |
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NaX4 .3734 .0169 .4972 .59 .0444 |
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NaX5 .8738 .0166 .5004 .58 .0377 |
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P1 .3816 .2183 .0033 .0102 |
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P2 .8826 .2152 .0067 .0105 |
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P3 .2013 .1141 .2578 .0105 |
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P4 .7041 .1134 .2598 .0109 |
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P5 .0597 .0957 .7384 .0118 |
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P6 .5588 .1000 .7400 .0122 |
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O1 .2980 .2105 .5460 .0152 |
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O2 .7979 .2081 .5458 .0159 |
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O3 .4655 .2182 .4503 .0163 |
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O4 .9637 .2141 .4457 .0129 |
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O5 .3290 .3698 .4182 .0225 |
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O6 .8267 .3666 .4151 .0215 |
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O7 .4426 .3508 .6102 .0227 |
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O8 .9444 .3475 .6048 .0243 |
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O9 .1125 .1720 .3151 .0153 |
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O10 .6180 .1743 .3182 .0172 |
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O11 .1343 .1522 .6592 .0226 |
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O12 .6357 .1544 .6613 .0227 |
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O13 .1098 .4102 .3729 .0182 |
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O14 .6116 .4133 .3713 .0195 |
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O15 .1714 .4022 .6215 .0142 |
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O16 .6709 .4005 .6197 .0156 |
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O17 .3011 .1851 .2765 .0171 |
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O18 .8056 .1819 .2753 .0161 |
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O19 .4591 .1710 .7370 .0165 |
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O20 .9596 .1642 .7351 .0101 |
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O21 .2776 .5080 .1785 .0279 |
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O22 .7773 .5072 .1757 .0264 |
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O23 .4651 .4846 .8149 .0208 |
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O24 .9717 .4900 .8150 .0247 |
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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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Bobfergusonite |
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Tait K T, Hawthorne F C, Cerny P, Galliski M A |
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The Canadian Mineralogist 42 (2004) 705-716 |
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Bobfergusonite from the Nancy Pegmatite, San Luis Range, Argentina: |
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Crystal-structure refinement and chemical composition |
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Locality: Nancy Pegmatite, San Luis Range, Argentina |
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_database_code_amcsd 0005932 |
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12.796 12.465 11.001 90 97.39 90 P2_1/n |
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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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MnM1 .13420 .23941 -.00222 .01269 .0102 .0156 .0118 .0004 -.00031 .00211 |
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MnM2 .63042 .23867 .00089 .89 .01315 .0113 .0149 .0124 .0015 -.00193 -.00105 |
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CaM2 .63042 .23867 .00089 .11 .01315 .0113 .0149 .0124 .0015 -.00193 -.00105 |
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Fe2+M3 .29672 .14728 .72252 .38 .01049 .0102 .0099 .0108 -.00120 -.00093 .00094 |
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MnM3 .29672 .14728 .72252 .32 .01049 .0102 .0099 .0108 -.00120 -.00093 .00094 |
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Fe3+M3 .29672 .14728 .72252 .24 .01049 .0102 .0099 .0108 -.00120 -.00093 .00094 |
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MgM3 .29672 .14728 .72252 .06 .01049 .0102 .0099 .0108 -.00120 -.00093 .00094 |
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Fe2+M4 .79843 .14656 .72557 .53 .01102 .0106 .0101 .0120 .0001 -.0003 .00060 |
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Fe3+M4 .79843 .14656 .72557 .25 .01102 .0106 .0101 .0120 .0001 -.0003 .00060 |
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MgM4 .79843 .14656 .72557 .22 .01102 .0106 .0101 .0120 .0001 -.0003 .00060 |
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Fe2+M5 .46185 .16300 .28185 .28 .01071 .0102 .0126 .0090 .0010 .0002 -.0020 |
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Fe3+M5 .46185 .16300 .28185 .42 .01071 .0102 .0126 .0090 .0010 .0002 -.0020 |
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MgM5 .46185 .16300 .28185 .30 .01071 .0102 .0126 .0090 .0010 .0002 -.0020 |
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AlM6 .96010 .16394 .28144 .94 .0084 .0078 .0092 .0081 .0004 .0009 -.0006 |
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Fe3+M6 .96010 .16394 .28144 .06 .0084 .0078 .0092 .0081 .0004 .0009 -.0006 |
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MnX1 .24917 .00113 -.00326 .02130 .0354 .00972 .0228 -.00170 .01923 -.00134 |
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NaX2 0 0 0 .92 .0254 .0329 .0137 .0340 .0016 .0211 .0028 |
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NaX3 .5 0 0 .88 .0306 .0380 .0143 .0462 .0021 .0304 -.0001 |
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NaX4 .3713 .0174 .49650 .57 .0352 .060 .0295 .0199 .0008 .0122 -.0015 |
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NaX5 .8762 .0160 .50243 .53 .0359 .060 .0296 .0211 .0048 .0154 -.0001 |
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P1 .38358 .21696 .00290 .00802 .0078 .0086 .0078 -.0002 .0015 -.0001 |
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P2 .88391 .21205 .00852 .00757 .0074 .0081 .0075 .0002 .0017 .0004 |
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P3 .20062 .11529 .25736 .00783 .0075 .0080 .0081 .0002 .0014 -.0001 |
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P4 .70687 .11406 .26218 .00805 .0077 .0075 .0092 .0006 .0021 .0001 |
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P5 .06085 .09455 .73786 .00796 .0070 .0088 .0081 .0001 .0012 .0004 |
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P6 .56023 .10271 .74000 .00857 .0079 .0082 .0098 -.0007 .0019 .0002 |
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O1 .29738 .21362 .54446 .0117 .0120 .0127 .0108 -.0023 .0032 .0000 |
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O2 .79913 .20976 .54512 .0097 .0067 .0129 .0099 -.0021 .0026 -.0002 |
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O3 .46853 .22141 .45476 .0100 .0102 .0104 .0101 .0017 .0046 -.0010 |
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O4 .96558 .21419 .44520 .0089 .0071 .0120 .0077 .0022 .0013 -.0004 |
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O5 .33192 .37396 .41874 .0129 .0166 .0108 .0117 .0033 .0028 .0015 |
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O6 .82928 .36872 .41534 .0135 .0162 .0121 .0125 .0089 .0034 .0008 |
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O7 .44212 .35398 .61396 .0121 .0168 .0111 .0087 -.0043 .0027 -.0013 |
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O8 .94709 .34870 .60403 .0137 .0194 .0123 .0092 -.0072 .0010 -.0016 |
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O9 .11059 .17153 .31505 .0092 .0084 .0088 .0109 .0006 .0035 -.0010 |
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O10 .62192 .17581 .32160 .0112 .0123 .0094 .0122 .0010 .0030 -.0006 |
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O11 .13403 .15220 .65739 .0131 .0106 .0122 .0181 .0023 .0083 .0045 |
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O12 .63820 .15597 .66157 .0131 .0133 .0106 .0168 .0004 .0073 .0012 |
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O13 .11172 .40832 .37427 .0129 .0136 .0131 .0112 -.0001 -.0016 -.0013 |
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O14 .61316 .41262 .37201 .0127 .0138 .0138 .0092 -.0004 -.0033 -.0013 |
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O15 .17331 .39990 .62261 .0112 .0125 .0123 .0088 .0006 .0015 .0022 |
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O16 .67093 .39784 .61741 .0111 .0132 .0119 .0078 -.0006 .0001 .0012 |
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O17 .29979 .18730 .27910 .0114 .0086 .0149 .0102 -.0025 -.0004 -.0018 |
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O18 .80896 .18240 .27782 .0101 .0098 .0106 .0099 -.0012 .0016 -.0005 |
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O19 .46212 .17609 .73756 .0106 .0088 .0116 .0118 .0012 .0022 .0005 |
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O20 .95903 .16093 .73393 .0125 .0106 .0131 .0140 .0022 .0017 .0011 |
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O21 .27858 .50788 .18067 .0168 .0176 .0110 .0221 -.0058 .0041 -.0065 |
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O22 .77610 .50661 .17456 .0157 .0168 .0102 .0209 -.0030 .0057 -.0026 |
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O23 .46455 .48170 .81566 .0120 .0159 .0093 .0105 .0024 -.0001 -.0011 |
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O24 .97240 .49340 .81578 .0158 .0165 .0109 .0200 .0045 .0023 .0034 |
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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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