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Protoenstatite |
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Jahn S, Martonak R |
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American Mineralogist 94 (2009) 950-956 |
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Phase behavior of protoenstatite at high pressure studied by atomistic simulations |
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Locality: theoretical structure |
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_database_code_amcsd 0004955 |
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9.171 8.513 5.254 90 90 90 Pbcn |
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atom x y z |
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O1 .1181 .0947 .0792 |
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O2 .3758 .2519 .0697 |
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O3 .3493 .9763 .2928 |
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Si .2913 .0920 .0679 |
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Mg1 0 .0944 .75 |
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Mg2 0 .2666 .25 |
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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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Protoenstatite |
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Yang H, Ghose S |
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Physics and Chemistry of Minerals 22 (1995) 300-310 |
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High temperature single crystal X-ray diffraction studies |
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of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K |
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Sample: T = 1360 K |
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_database_code_amcsd 0007923 |
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9.306 8.886 5.360 90 90 90 Pbcn |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mg1 0 .1003 .7500 2.260 .0075 .0073 .0164 0 -.0012 0 |
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Mg2 0 .2621 .2500 2.776 .0087 .0092 .0211 0 -.0013 0 |
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SiA .2928 .0901 .0742 1.525 .0043 .0052 .0126 -.0008 .0003 .0006 |
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O1A .1184 .0947 .0793 2.120 .0042 .0084 .0198 .0001 -.0005 -.0015 |
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O2A .3775 .2454 .0672 2.837 .0098 .0074 .0242 -.0047 -.0008 .0001 |
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O3A .3489 .9847 .3071 3.119 .0059 .0157 .0205 .0001 .0001 .0079 |
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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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Protoenstatite |
| |
Yang H, Ghose S |
| |
Physics and Chemistry of Minerals 22 (1995) 300-310 |
|
High temperature single crystal X-ray diffraction studies |
|
of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K |
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Sample: T = 1400 K |
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_database_code_amcsd 0007924 |
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9.315 8.899 5.365 90 90 90 Pbcn |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mg1 0 .0999 .7500 2.735 .0106 .0071 .0196 0 -.0036 0 |
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Mg2 0 .2612 .2500 3.343 .0131 .0086 .0240 0 -.0006 0 |
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SiA .2931 .0898 .0741 1.793 .0061 .0052 .0141 -.0009 -.0003 .0006 |
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O1A .1189 .0937 .0787 2.296 .0060 .0090 .0170 -.0011 -.0006 -.0017 |
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O2A .3761 .2458 .0661 3.311 .0125 .0073 .0285 -.0065 .0021 -.0023 |
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O3A .3488 .9852 .3074 3.217 .0087 .0140 .0191 .0006 -.0016 .0076 |
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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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