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Bavenite |
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Lussier A J, Hawthorne F C |
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Mineralogical Magazine 75 (2011) 213-239 |
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Short-range constraints on chemical and structural variations in bavenite |
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Locality: Ascham Alm, Untersulzbachtal, Salzburg, Austria |
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Sample: 25BAV |
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_database_code_amcsd 0019885 |
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23.2120 5.0043 19.4439 90 90 90 Cmcm |
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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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Na .08388 .24491 .15264 .00375 .01245 .01352 .01360 .01024 -.00026 -.00042 .00131 |
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Ca .08388 .24491 .15264 .01245 .01352 .01360 .01024 -.00026 -.00042 .00131 |
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SiT1 0 .77755 .25 .00868 .0084 .0098 .0079 0 0 0 |
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BeT2 .12506 .8139 .25 .0094 .0089 .0110 .0085 .0003 0 0 |
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SiT3 0 .72270 .10440 .8615 .0087 .0093 .0092 .0076 0 0 -.0005 |
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BeT3 0 .72270 .10440 .1385 .0087 .0093 .0092 .0076 0 0 -.0005 |
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SiT4 .09497 .5 0 .1275 .0085 .0102 .0088 .0063 0 0 .004 |
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AlT4 .09497 .5 0 .8725 .0085 .0102 .0088 .0063 0 0 .004 |
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SiT5 .17021 0 0 .00974 .0106 .0107 .0079 0 0 -.0003 |
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SiT6 .21413 .85570 .14332 .00903 .0094 .0098 .0079 .00029 .00040 .00058 |
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O1 0 .5751 .18258 .0106 .0140 .0102 .0076 0 0 -.0015 |
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O2 0 .0346 .11255 .0136 .0131 .0123 .0155 0 0 .0017 |
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O3 .05739 .5988 .07101 .0152 .0161 .0166 .0128 .0037 .0042 .0009 |
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O4 .13109 .2325 .03575 .0141 .0161 .0142 .0119 .0030 .0014 -.0014 |
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O5 .20829 .8655 .06025 .0138 .0151 .0176 .0086 .0031 -.0008 .0006 |
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O6 .23343 .5556 .16518 .0125 .0135 .0106 .0133 .0023 .0020 .0017 |
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O7 .15456 .9307 .18002 .0127 .0121 .0139 .0122 .0031 .0037 .0021 |
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O8 .12116 .4884 .25 .0122 .0113 .0108 .0146 -.0003 0 0 |
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O9 .05854 .9529 .25 .0102 .0087 .0117 .0104 -.0006 0 0 |
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H8 .1624 .4458 .25 .015 |
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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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