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CaGeO3 |
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Nakatsuka A, Chaya H, Yoshiasa A |
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American Mineralogist 90 (2005) 755-757 |
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Crystal structure of single-crystal CaGeO3 tetragonal garnet synthesized at 3 GPa and 1000 C |
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_database_code_amcsd 0003772 |
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12.535 12.535 12.370 90 90 90 *I4_1/a |
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0 .25 .125 |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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CaX1 .62459 .00296 .25307 .449 .0036 .0060 .0075 -.0009 .0005 .0011 |
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CaX2 .5 .25 .62325 .453 .0085 .0038 .0049 -.0011 0 0 |
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CaY1 .5 0 .5 .420 .0040 .0055 .0065 .0001 .0004 0 |
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GeY2 .5 0 0 .288 .0025 .0034 .0050 .0001 .0002 -.0005 |
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GeZ1 .5 .25 .375 .319 .0043 .0043 .0035 0 0 0 |
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GeZ2 .5 .25 .875 .381 .0044 .0044 .0057 0 0 0 |
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GeZ3 .62647 .01509 .75723 .263 .0024 .0028 .0048 -.0001 .0002 -.0003 |
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O1 .53087 .06623 .67127 .482 .0046 .0067 .0071 .0023 -.0009 -.0002 |
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O2 .54303 -.04195 .86141 .407 .0041 .0061 .0053 -.0019 .0012 -.0016 |
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O3 .72260 .11082 .80554 .288 .0029 .0007 .0073 .0009 .0004 .0019 |
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O4 .71030 -.07756 .69968 .503 .0057 .0041 .0094 .0033 .0012 -.0010 |
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O5 .43278 .16676 .46628 .426 .0032 .0055 .0075 -.0020 -.0006 .0012 |
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O6 .39650 .20977 .78439 .560 .0049 .0046 .0118 .0031 .0008 -.0024 |
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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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CaGeO3 |
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Nakatsuka A, Chaya H, Yoshiasa A |
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American Mineralogist 90 (2005) 732-736 |
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Crystal structure of single-crystal CaGeO3 tetragonal garnet synthesized at 3 GPa and 1000 C |
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Note: alternate origin, resulting in coordinates similar to some majorite refinements |
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_database_code_amcsd 0003773 |
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12.535 12.535 12.370 90 90 90 *I4_1/a |
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.5 .25 .125 |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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CaX1 .12459 .00296 .25307 .449 .0036 .0060 .0075 -.0009 .0005 .0011 |
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CaX2 0 .25 .62325 .453 .0085 .0038 .0049 -.0011 0 0 |
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CaY1 0 0 .5 .420 .0040 .0055 .0065 .0001 .0004 0 |
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GeY2 0 0 0 .288 .0025 .0034 .0050 .0001 .0002 -.0005 |
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GeZ1 0 .25 .375 .319 .0043 .0043 .0035 0 0 0 |
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GeZ2 0 .25 .875 .381 .0044 .0044 .0057 0 0 0 |
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GeZ3 .12647 .01509 .75723 .263 .0024 .0028 .0048 -.0001 .0002 -.0003 |
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O1 .03087 .06623 .67127 .482 .0046 .0067 .0071 .0023 -.0009 -.0002 |
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O2 .04303 -.04195 .86141 .407 .0041 .0061 .0053 -.0019 .0012 -.0016 |
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O3 .22260 .11082 .80554 .288 .0029 .0007 .0073 .0009 .0004 .0019 |
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O4 .21030 -.07756 .69968 .503 .0057 .0041 .0094 .0033 .0012 -.0010 |
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O5 -.06722 .16676 .46628 .426 .0032 .0055 .0075 -.0020 -.0006 .0012 |
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O6 -.10350 .20977 .78439 .560 .0049 .0046 .0118 .0031 .0008 -.0024 |
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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
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