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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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Bayerite |
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Rothbauer R, Zigan F, O'Daniel H |
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Zeitschrift fur Kristallographie 125 (1967) 317-331 |
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Verfeinerung der struktur des bayerits, Al(OH)3 |
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_database_code_amcsd 0010649 |
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5.062 8.671 4.713 90 90.27 90 P2_1/a |
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atom x y z Biso |
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Al .527 .167 -.015 2.2 |
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O1 .365 -.011 .215 2.4 |
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O2 .204 .176 .777 3.0 |
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O3 .344 .308 .229 .8 |
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H1 .32 .52 .77 |
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H2 .79 .40 .73 |
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H3 .32 .31 .39 |
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| Download AMC data (View Text File)
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Brucite |
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Zigan F, Rothbauer R |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1967 (1967) 137-143 |
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Neutronenbeugungsmessungen am Brucit |
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_cod_database_code 1000054 |
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_database_code_amcsd 0014731 |
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3.142 3.142 4.766 90 90 120 P-3m1 |
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atom x y z |
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Mg 0 0 0 |
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O 1/3 2/3 .2216 |
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H 1/3 2/3 .4303 |
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| Download AMC data (View Text File)
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Muscovite-2M1 |
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Rothbauer R |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1971 (1971) 143-154 |
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Untersuchung eines 2M1-muskovits mit neutronenstrahlen |
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Locality: Diamond mine, Black Hills, South Dakota, USA |
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_database_code_amcsd 0014740 |
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5.19182 9.01535 20.04577 90 95.7353 90 C2/c |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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K 0 .0980 .25 .0191 .0053 .00116 0 .0005 0 |
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Al .2502 .0835 .00008 .935 .0049 .0017 .00025 -.0001 .0003 .00012 |
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Fe .2502 .0835 .00008 .065 .0049 .0017 .00025 -.0001 .0003 .00012 |
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SiT1 .4646 .9291 .13553 .75 .0048 .0014 .00043 -.0002 .0000 -.00004 |
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AlT1 .4646 .9291 .13553 .25 .0048 .0014 .00043 -.0002 .0000 -.00004 |
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SiT2 .4516 .2581 .13559 .75 .0049 .0014 .00045 .0003 .0003 .00012 |
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AlT2 .4516 .2581 .13559 .25 .0049 .0014 .00045 .0003 .0003 .00012 |
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H .3727 .6499 .0599 .020 .0066 .0035 -.0012 .0036 -.0023 |
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O1 .4167 .0927 .16829 .0150 .0022 .00062 .0006 .0008 .00006 |
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O2 .2505 .8107 .15783 .0087 .0046 .00075 -.0017 .0001 .00043 |
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O3 .2502 .3703 .16869 .0094 .0039 .00055 .0019 .0002 -.00005 |
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O4 .4610 .9432 .05343 .0069 .0025 .00038 .0002 .0003 .00007 |
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O5 .3859 .2515 .05348 .0082 .0022 .00040 .0001 .0002 .00008 |
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O6 .4566 .5627 .05018 .0096 .0033 .00051 -.0009 .0004 -.00031 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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