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Brandtite |
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Herwig S, Hawthorne F C |
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The Canadian Mineralogist 44 (2006) 1181-1196 |
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The topology of hydrogen bonding in brandtite, collinsite and fairfieldite |
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Locality: Harstig mine, Harstigen, Sweden |
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_database_code_amcsd 0006117 |
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5.877 12.957 5.675 90 108.00 90 P2_1/c |
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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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CaX .56763 .11965 .24347 .95 .0095 .0095 .0091 .0101 -.0011 .0034 -.0012 |
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PbX .56763 .11965 .24347 .05 .0095 .0095 .0091 .0101 -.0011 .0034 -.0012 |
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MnM 0 0 0 .88 .0094 .0096 .0089 .0093 -.0009 .0023 -.0041 |
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MgM 0 0 0 .10 .0094 .0096 .0089 .0093 -.0009 .0023 -.0041 |
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FeM 0 0 0 .01 .0094 .0096 .0089 .0093 -.0009 .0023 -.0041 |
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AsT .22243 .12174 .57383 .00639 .00747 .00533 .00581 .00010 .00123 .00021 |
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O1 .2445 .03619 .3558 .0119 .0128 .0120 .0111 -.0019 .0040 -.0061 |
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O2 .2883 .05599 .8451 .0094 .0096 .0090 .0077 -.0000 .0000 .0034 |
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O3 .9499 .17265 .5022 .0110 .0084 .0092 .0139 .0034 .0013 .0005 |
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O4 .4404 .20712 .5795 .0099 .0098 .0084 .0112 -.0038 .0028 -.0010 |
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OW .8087 .14270 .9719 .0099 .0132 .0089 .0067 -.0020 .0018 .0005 |
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H1 .685 .150 .811 .037 |
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H2 .907 .205 .987 .028 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Collinsite |
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Herwig S, Hawthorne F C |
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The Canadian Mineralogist 44 (2006) 1181-1196 |
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The topology of hydrogen bonding in brandtite, collinsite and fairfieldite |
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Locality: Rapid Creek, Yukon Territory, Canada |
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_database_code_amcsd 0006118 |
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5.729 6.778 5.444 97.31 108.56 107.25 P-1 |
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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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CaX .30332 .75897 .65422 .00910 .00765 .01038 .00879 .00259 .00351 .00116 |
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MgM 0 0 0 .92 .00636 .0058 .0068 .0064 .00258 .00196 .00095 |
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MnM 0 0 0 .01 .00636 .0058 .0068 .0064 .00258 .00196 .00095 |
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FeM 0 0 0 .06 .00636 .0058 .0068 .0064 .00258 .00196 .00095 |
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PT .33308 .24382 .66329 .00577 .00513 .00637 .00578 .00225 .00175 .00174 |
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O1 .25585 .07243 .40377 .00989 .0098 .0102 .0078 .0037 .0019 -.0007 |
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O2 .33308 .12722 .89146 .00899 .0088 .0109 .0089 .0040 .0037 .0055 |
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O3 .15488 .37340 .63328 .00907 .0091 .0098 .0104 .0058 .0036 .0036 |
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O4 .61936 .38661 .72049 .00948 .0064 .0100 .0100 .0007 .0025 .0024 |
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OW .94947 .27786 .06803 .00884 .0084 .0084 .0088 .0025 .0023 .0024 |
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H1 .838 .316 -.077 .039 |
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H2 .117 .392 .144 .050 |
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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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Fairfieldite |
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Herwig S, Hawthorne F C |
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The Canadian Mineralogist 44 (2006) 1181-1196 |
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The topology of hydrogen bonding in brandtite, collinsite and fairfieldite |
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Locality: Foote mine, North Carolina, USA |
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_database_code_amcsd 0006119 |
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5.795 6.576 5.496 102.39 108.63 90.29 P-1 |
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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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CaX .6010 .2337 .3329 .0091 .0093 .0090 .0086 .0002 .0030 .0012 |
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MnM 0 0 0 .73 .0095 .0095 .0105 .0071 .0005 .0020 -.0001 |
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MgM 0 0 0 .01 .0095 .0095 .0105 .0071 .0005 .0020 -.0001 |
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FeM 0 0 0 .23 .0095 .0095 .0105 .0071 .0005 .0020 -.0001 |
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PT .2452 .2324 .6475 .0070 .0083 .0065 .0059 .0004 .0017 .0018 |
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O1 .2451 .0693 .3961 .0111 .0129 .0108 .0078 -.0004 .0030 -.0007 |
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O2 .3050 .1179 .8781 .0101 .0117 .0105 .0086 .0009 .0024 .0048 |
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O3 .0021 .3271 .6145 .0106 .0097 .0103 .0114 .0020 .0024 .0032 |
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O4 .4545 .3994 .6957 .0100 .0106 .0081 .0110 -.0007 .0034 .0021 |
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OW -.1529 .2999 .0674 .0119 .0154 .0102 .0090 .0011 .0029 .0015 |
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H1 -.277 .346 -.071 .052 |
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H2 -.072 .432 .181 .054 |
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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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