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Fe7SiO10 |
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Smuts J, Steyn J G D, Boeyens J C A |
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Acta Crystallographica B25 (1969) 1251-1255 |
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The crystal structure of an iron silicate, iscorite |
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_database_code_amcsd 0009352 |
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21.4 3.06 5.88 90 98 90 P2_1/m |
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atom x y z Biso |
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Fe2+1 .0553 .75 .1416 .75 |
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Fe2+2 .0532 .75 .6621 .73 |
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Fe2+3 .1599 .25 .4576 1.11 |
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Fe2+4 .4445 .75 .3553 .76 |
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Fe2+5 .4471 .75 .8421 .89 |
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Fe3+1 .1931 .75 .9743 1.05 |
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Fe3+2 .3345 .25 .0378 .76 |
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Si .3018 .75 .5251 .07 |
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O1 .0497 .25 .4091 .64 |
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O2 .0390 .25 .8827 .86 |
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O3 .1469 .75 .2025 1.32 |
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O4 .1469 .75 .6951 2.91 |
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O5 .2342 .25 .0126 5.54 |
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O6 .2625 .25 .5074 .06 |
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O7 .3498 .75 .2918 2.49 |
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O8 .3431 .75 .8088 1.82 |
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O9 .4542 .25 .1058 1.32 |
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O10 .4562 .25 .6002 1.78 |
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Gypsum |
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Boeyens J C A, Ichharam V V H |
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Zeitschrift fur Kristallographie 217 (2002) 9-10 |
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Redetermination of the crystal structure of calcium sulphate dihydrate, CaSO4*2H2O |
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Locality: synthetic |
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_database_code_amcsd 0011093 |
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6.284 15.200 6.523 90 127.41 90 C2/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .5 .07956 .75 .0105 .0124 .0104 0 .0057 0 |
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S 0 .07724 .75 .0084 .0108 .0090 0 .0046 0 |
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O1 .0372 .13198 .5872 .0163 .0187 .0145 .0006 .0093 .0052 |
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O2 .2424 .02211 .9092 .0115 .0179 .0172 .0052 .0075 .0068 |
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OW .6202 .18197 .0784 .0304 .0182 .0157 .0013 .0099 -.0028 |
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H1 .749 .162 .251 .031 |
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H2 .584 .235 .073 .057 |
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Barberiite |
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van Rensburg D J J, Boeyens J C A |
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Journal of Solid State Chemistry 5 (1972) 79-84 |
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The crystal structure of ammonium tetrafluoroborate IV at 140 K |
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Locality: synthetic |
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Sample: T = 140 K |
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Note: x(H2), y(H2) adjusted to match reported bond lengths |
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_database_code_amcsd 0013299 |
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7.243 8.808 5.908 90 90 90 Pbnm |
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atom x y z Biso |
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N .1714 .1843 .25 .704 |
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H1 .1300 .2900 .25 3.000 |
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H2 .2890 .1980 .25 3.000 |
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H3 .1000 .1500 .08 3.000 |
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B .6905 .0722 .25 1.223 |
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F1 .5822 .9403 .25 2.406 |
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F2 .5764 .2019 .25 1.571 |
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F3 .806 .0768 .0527 1.469 |
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| Download AMC data (View Text File)
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