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Penninite |
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Joswig W, Fuess H, Rothbauer R, Takeuchi Y, Mason S A |
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American Mineralogist 65 (1980) 349-352 |
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A neutron diffraction study of a one-layer triclinic chlorite (penninite) |
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_database_code_amcsd 0000779 |
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5.3266 9.232 14.399 90. 97.16 90. C-1 |
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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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Mgt1 0 0 0 .800 0.0038 0.0051 0.0094 0.0015 0.0008 0.0006 |
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Fet1 0 0 0 .100 0.0038 0.0051 0.0094 0.0015 0.0008 0.0006 |
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Alt1 0 0 0 .100 0.0038 0.0051 0.0094 0.0015 0.0008 0.0006 |
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Mgt2 .0007 .3336 -.00004 .800 0.0061 0.0052 0.0069 -.0002 0.0002 -.0003 |
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Fet2 .0007 .3336 -.00004 .100 0.0061 0.0052 0.0069 -.0002 0.0002 -.0003 |
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Alt2 .0007 .3336 -.00004 .100 0.0061 0.0052 0.0069 -.0002 0.0002 -.0003 |
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Mgb1 .0004 .1667 .5 .875 0.0051 0.0041 0.0122 0.0001 0.0016 0.0009 |
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Alb1 .0004 .1667 .5 .125 0.0051 0.0041 0.0122 0.0001 0.0016 0.0009 |
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Mgb2 0 .5 .5 .750 0.0049 0.0051 0.0104 -.0001 0.0011 -.0004 |
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Alb2 0 .5 .5 .25 0.0049 0.0051 0.0104 -.0001 0.0011 -.0004 |
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Si1 .2310 .1672 .19170 .790 0.0042 0.0026 0.0073 0.0005 0.0020 0.0011 |
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Al1 .2310 .1672 .19170 .210 0.0042 0.0026 0.0073 0.0005 0.0020 0.0011 |
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Si2 .7314 .0007 .19170 .790 0.0044 0.0019 0.0072 -.0004 0.0012 -.0011 |
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Al2 .7314 .0007 .19170 .210 0.0044 0.0019 0.0072 -.0004 0.0012 -.0011 |
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O1 .1932 .1671 .07697 0.0053 0.0058 0.0064 -.0008 0.0006 -.0003 |
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O2 .6922 .0002 .07689 0.0059 0.0061 0.0066 0.0001 0.0015 0.0003 |
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O3 .2120 .3341 .23254 0.0209 0.0091 0.0119 0.0010 0.0040 -.0001 |
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O4 .5114 .1003 .23259 0.0143 0.0169 0.0110 0.0038 0.0008 -.0014 |
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O5 .0112 .0676 .23249 0.0135 0.0185 0.0107 -.0029 0.0013 0.0010 |
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O6 .6914 .3334 .07300 .990 0.0073 0.0061 0.0064 0.0015 0.0011 0.0004 |
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O7 .1465 -.0002 .43010 0.0164 0.0133 0.0075 0.0002 0.0009 0.0006 |
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O8 .1417 .33460 .43010 0.0170 0.0142 0.0074 0.0000 0.0018 -.0006 |
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O9 .6413 .16490 .43030 0.0104 0.0147 0.0090 0.0007 0.0001 -.0005 |
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H1 .7139 .3339 .1399 .930 0.0360 0.0364 0.0046 0.0017 -.0002 -.0005 |
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H2 .1193 .0054 .3632 0.0381 0.0384 0.0100 -.0014 0.0034 0.0002 |
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H3 .1303 .3353 .3629 0.0430 0.0380 0.0115 0.0000 0.0010 -.0001 |
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H4 .6143 .1594 .3635 0.0381 0.0383 0.0175 0.0041 0.0012 -.0011 |
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Malachite |
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Zigan F, Joswig W, Schuster H U, Mason S A |
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Zeitschrift fur Kristallographie 145 (1977) 412-426 |
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Verfeinerung der Struktur von Malachit, Cu2(OH)2CO3, durch Neutronenbeugung |
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_database_code_amcsd 0010795 |
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9.502 11.974 3.240 90 98.75 90 P2_1/a |
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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 .49814 .28793 .8925 .0065 .0068 .0105 .0013 -.0019 -.0005 |
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Cu2 .23242 .39331 .3880 .0068 .0066 .0094 .0005 -.0023 -.0012 |
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O1 .13150 .13646 .3417 .0073 .0091 .0168 -.0008 -.0031 .0021 |
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O2 .33325 .23591 .4500 .0081 .0065 .0145 -.0013 -.0021 .0005 |
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O3 .33412 .05622 .6308 .0088 .0071 .0176 -.0005 -.0035 .0017 |
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O4 .09403 .35155 .9191 .0070 .0066 .0122 -.0013 -.0025 -.0007 |
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O5 .37725 .41615 .8598 .0077 .0064 .0137 .0008 -.0029 -.0005 |
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C1 .26622 .14075 .4727 .0062 .0060 .0089 -.0009 -.0012 -.0003 |
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H1 .0167 .4048 .8444 .0198 .0196 .0305 .0057 -.0014 .0013 |
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H2 .4105 .4918 .8296 .0288 .0140 .0388 -.0059 -.0016 -.0001 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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