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Barentsite |
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Tjy C T L, Pobedimskaya E A, Fundamenskii V S, Nadezhina T N, Khomyakov A P |
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Doklady Akademii Nauk SSSR 273 (1983) 699-704 |
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The crystal structure of barentsite |
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Note: y(O1) corrected |
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6.472 6.735 8.806 92.50 97.33 119.32 P-1 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Na1 0 0 0 .0136 .0120 .0160 .0088 .0067 .0056 |
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Na2 .5 .5 0 .0104 .0131 .0122 .0079 .0026 .0027 |
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Na3 .5 0 0 .0098 .0113 .0166 .0053 .0014 .0050 |
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Na4 .72594 .38587 .35730 .0156 .0121 .0088 .0083 .0025 .0016 |
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Na5 .77860 .12001 .64502 .0153 .0118 .0088 .0077 .0015 .0007 |
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Al 0 .5 0 .0065 .0067 .0049 .0040 0014 .0011 |
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H .2084 .2219 .5139 .1 |
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C1 .28907 .11140 .70073 .0075 .0075 .0083 .0038 .0017 .0017 |
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C2 .20352 .38800 .28539 .0072 .0069 .0064 .0033 .0007 .0013 |
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O1 .35206 -.00777 .62662 .0149 .0115 .0109 .0090 .0028 .0008 |
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O2 .20770 .23336 .61985 .0198 .0150 .0111 .0138 .0045 .0051 |
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O3 .29366 .13085 .84371 .0137 .0051 .0072 .0077 .0031 .0022 |
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O4 .28515 .25854 .33757 .0168 .0141 .0116 .0121 .0025 .0046 |
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O5 .17493 .39169 .13584 .0112 .0124 .0057 .0072 .0018 .0018 |
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O6 .15343 .50495 .37421 .0164 .0125 .0074 .0101 .0023 .0003 |
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F1 .75409 .39462 .10792 .0099 .0149 .0079 .0079 .0038 .0036 |
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F2 .85005 .21556 .89472 .0116 .0096 .0085 .0058 .0004 -.0002 |
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