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Wadsleyite |
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Smyth J R, Kawamoto T, Jacobsen S D, Swope R J, Hervig R L, Holloway J R |
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American Mineralogist 82 (1997) 270-275 |
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Crystal structure of monoclinic hydrous wadsleyite [beta-(Mg,Fe)2SiO4] |
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Note: occupancies of octahedral sites are estimates |
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_database_code_amcsd 0001873 |
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5.6715 11.582 8.258 90 90.397 90 *I2/m |
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.25 .25 .25 |
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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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Mg1 0 0 0 .92 .0242 .0117 .0247 .0006 .0033 .0035 |
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Mg2 .0012 .25 .9709 .92 .0163 .0104 .0123 0 .0001 0 |
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Mg3a .25 .1222 .25 .77 .0139 .0175 .0137 0 -.0015 0 |
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Mg3b .75 .3783 .25 .83 .0149 .0167 .0130 0 .0019 0 |
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Si1 .0002 .12123 .61558 .92 .0096 .0066 .0088 .0003 0 -.0004 |
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Si2 .498 .137 .128 .024 .014 |
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H1 .016 .25 .285 .355 .05 |
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O1 -.0006 .25 .2256 .012 .016 .017 0 0 0 |
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O2 -.0008 .25 .7166 .015 .0117 .0133 0 .0004 0 |
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O3 .0007 .0124 .7436 .016 .0157 .016 .0002 -.0008 -.0001 |
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O4a .2601 .1242 .9946 .0134 .0100 .0166 .0004 -.0006 .0008 |
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O4b .7412 .3759 .9956 .0131 .0096 .0159 .0005 .0001 0 |
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