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Orlandiite |
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Demartin F, Gramaccioli C M, Pilati T |
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The Canadian Mineralogist 41 (2003) 1147-1153 |
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The crystal structure of orlandiite, Pb3Cl4(SeO3).H2O, a complex case |
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of twinning and disorder |
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_database_code_amcsd 0005881 |
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8.136 8.430 9.233 62.58 71.84 75.13 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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Pb3 .5689 .6062 .7553 .75 .0384 .0106 .0730 .0149 -.0004 -.0021 -.0077 |
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Pb'3 .5689 .1048 .7543 .25 .0549 .0441 .0829 .0173 -.0036 -.0180 .0007 |
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Se(a) .4904 .8685 .3860 .375 .0115 .0117 .0105 .0101 -.0008 -.0010 -.0037 |
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Se(b) .4926 .7532 .3850 .375 .0128 .0094 .0217 .0079 -.0028 -.0016 -.0065 |
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Se'(a) .5042 .6413 .6178 .125 .0253 |
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Se'(b) .5128 .7443 .6167 .125 .0218 |
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Pb1 .11376 -.00862 .71741 .0238 .0220 .0242 .0243 -.0017 -.0074 -.0086 |
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Pb2 .12075 .48200 .71678 .0247 .0237 .0260 .0249 -.0009 -.0078 -.0109 |
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Cl1 .19243 .09558 .96161 .0251 .0240 .0274 .0215 -.0045 -.0035 -.0086 |
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Cl2 .19225 .60008 .95409 .0222 .0161 .0258 .0187 -.0026 .0003 -.0072 |
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Cl3 -.13721 .33192 .65464 .0237 .0240 .0212 .0202 .0010 -.0023 -.0076 |
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Cl4 .13242 .16944 .34662 .0221 .0210 .0287 .0191 -.0081 -.0060 -.0087 |
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Wat .4992 .7555 .9967 .0668 .0350 .0533 .1313 -.0115 .0000 -.0633 |
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O1a .6710 .7415 .4332 .0362 |
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O2a .5742 .0638 .3343 .50 .0267 |
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O2b .5657 .5653 .3347 .50 .0118 |
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O3a .3685 .8144 .5799 .50 .0239 |
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O3b .3661 .6707 .5796 .50 .0281 |
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View JMOL 3-D Structure (permalink) |
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