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Wadsleyite |
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Horiuchi H, Sawamoto H |
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American Mineralogist 66 (1981) 568-575 |
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Beta-Mg2SiO4: Single-crystal X-ray diffraction study |
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case 1 |
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_database_code_amcsd 0000834 |
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5.6983 11.4380 8.2566 90 90 90 Imma |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mg1 0 0 0 0.0025 0.0011 0.0017 0 0 0 |
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Mg2 0 .25 .9701 0.0035 0.0008 0.0013 0 0 0 |
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Mg3 .25 .1276 .25 0.0030 0.0008 0.0017 0 -.0003 0 |
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Si1 0 .1198 .6168 0.0016 0.0004 0.0008 0 0 0 |
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O1 0 .25 .2166 0.0029 0.0007 0.0014 0 0 0 |
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O2 0 .25 .7164 0.0034 0.0001 0.0013 0 0 0 |
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O3 0 .9900 .2558 0.0033 0.0005 0.0011 0 0 -.0001 |
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O4 .2615 .1225 .9925 0.0026 0.0006 0.0013 -.0001 0.0002 0 |
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Wadsleyite |
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Horiuchi H, Sawamoto H |
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American Mineralogist 66 (1981) 568-575 |
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Beta-Mg2SiO4: Single-crystal X-ray diffraction study |
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case 2 |
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_database_code_amcsd 0000835 |
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5.6983 11.4380 8.2566 90 90 90 Imma |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si 0 .1198 .6168 .0017 .00045 .0009 0 0 0 |
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Mg1 0 0 0 .0012 .0007 .0011 0 0 0 |
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Mg2 0 .25 .9701 .0034 .0008 .0012 0 0 0 |
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Mg3 .25 .1276 .25 .0028 .0008 .0016 0 -.0003 0 |
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O1 0 .25 .2166 .0029 .0007 .0014 0 0 0 |
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O2 0 .25 .7164 .0034 .0002 .0014 0 0 0 |
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O3 0 .9900 .2559 .0034 .0005 .0011 0 0 -.0001 |
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O4 .2616 .1225 .9925 .0028 .0006 .0013 -.0001 .0002 0 |
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| Download AMC data (View Text File)
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Garnet |
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Fujino K, Momoi H, Sawamoto H, Kumazawa M |
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American Mineralogist 71 (1986) 781-785 |
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Crystal structure and chemistry of MnSiO3 tetragonal garnet |
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_database_code_amcsd 0001021 |
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11.774 11.774 11.636 90 90 90 *I4_1/a |
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.5 .25 .125 |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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MnD1 .1258 .0079 .2590 .00069 .00098 .00146 -.00001 .00016 00017 |
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MnD2 0 .25 .6235 .00133 .00107 .00074 -.00020 0 0 |
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MnOc1 0 0 .5 .98 .00073 .00083 .00070 -.00006 -.00007 .00019 |
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SiOc1 0 0 .5 .02 .00073 .00083 .00070 -.00006 -.00007 -.00019 |
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SiOc2 0 0 0 .98 .00044 .00076 .00102 -.00002 .00006 -.00005 |
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MnOc2 0 0 0 .02 .00044 .00076 .00102 -.00002 .00006 -.00005 |
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SiT1 0 .25 .375 .00102 .00102 .00057 0 0 0 |
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SiT2 0 .25 .875 .00070 .00070 .00022 0 0 0 |
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SiT3 .1262 .0143 .7597 .00060 .00063 .00063 .00008 .00006 -.00022 |
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O1 .0302 .0617 .6730 .00101 .00096 .00060 .00004 -.00026 -.00009 |
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O2 .0465 -.0411 .8627 .00090 .00076 .00062 .00011 .00017 -.00022 |
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O3 .2224 .1099 .8064 .00087 .00070 .00115 .00000 .00002 -.00004 |
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O4 .2098 -.0796 .7039 .00093 .00077 .00102 -.00022 .00022 -.00022 |
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O5 -.0649 .1665 .4654 .00088 .00130 .00045 -.00030 .00036 .00005 |
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O6 -.1034 .2152 .7858 .00055 .00087 .00090 .00020 .00003 .00022 |
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Wadsleyite |
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Sawamoto H, Horiuchi H |
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Physics and Chemistry of Minerals 17 (1990) 293-300 |
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Beta (Mg0.9Fe0.1)2SiO4: single crystal structure, cation |
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distribution, and properties of coordination polyhedra |
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_database_code_amcsd 0007489 |
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5.7107 11.4675 8.2778 90 90 90 Imma |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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MgM1 0 0 0 .89 .56 .0035 .0012 .0022 0 0 0 |
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FeM1 0 0 0 .11 .56 .0035 .0012 .0022 0 0 0 |
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MgM2 0 .25 .9707 .95 .58 .0062 .0010 .0015 0 0 0 |
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FeM2 0 .25 .9707 .05 .58 .0062 .0010 .0015 0 0 0 |
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MgM3 .25 .1266 .25 .88 .57 .0033 .0014 .0023 0 -.0002 0 |
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FeM3 .25 .1266 .25 .12 .57 .0033 .0014 .0023 0 -.0002 0 |
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SiT 0 .1202 .6161 .45 .0039 .0008 .0015 0 0 -.0001 |
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O1 0 .25 .2165 .49 .0075 .0007 .0005 0 0 0 |
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O2 0 .25 .7170 .54 .0087 .0001 .0016 0 0 0 |
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O3 0 .9889 .2576 .57 .0045 .0009 .0010 0 0 .0005 |
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O4 .2617 .1230 .9921 1.14 .0070 .0014 .0011 .0035 -.0004 -.0003 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure
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