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Melilite |
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Armbruster T, Rothlisberger F, Seifert F |
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American Mineralogist 75 (1990) 847-858 |
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Layer topology, stacking variation and site distortion in melilite-related |
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compounds in the system CaO-ZnO-GeO2-SiO2 |
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high-temperature polymorph |
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Ca2ZnGe2O7 |
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_database_code_amcsd 0001314 |
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7.950 7.950 5.186 90 90 90 P-42_1m |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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CaX .3320 .1680 .5038 0.049 0.049 0.0141 0.038 0.0001 -.0001 |
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Zn1 0 0 0 0.0196 0.0196 0.0092 0 0 0 |
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Ge2 .14206 .35794 .9531 0.0152 0.0152 0.0109 0.0002 0.0040 -.0040 |
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O1 .5 0 .181 0.11 0.11 0.006 -0.09 0 0 |
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O2 .1400 .3600 .277 0.042 0.042 0.012 0.025 -0.002 0.002 |
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O3 .088 .179 .783 0.20 0.042 0.031 -0.075 0.061 -0.026 |
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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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Melilite |
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Armbruster T, Rothlisberger F, Seifert F |
|
American Mineralogist 75 (1990) 847-858 |
|
Layer topology, stacking variation and site distortion in melilite-related |
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compounds in the system CaO-ZnO-GeO2-SiO2 |
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low-temperature polymorph |
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Ca2ZnGe2O7 |
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_database_code_amcsd 0001315 |
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8.020 7.995 15.506 90 89.47 90 P2_1 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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ZnA1 .7385 .9354 .1543 0.0147 0.0153 0.0123 -.0005 0.0018 0.0020 |
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ZnA2 .2553 .4237 .1646 0.0212 0.0153 0.0122 0.0001 0.0023 -.0007 |
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GeA3 .3928 .7837 .1464 0.0145 0.0097 0.0081 0.0001 0.0019 -.0019 |
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GeA4 .6120 .2840 .1913 0.0197 0.0223 0.0103 -.0016 0.0047 -.0021 |
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GeA5 .8869 .5788 .1836 0.0205 0.0150 0.0052 0.0017 0.0011 -.0013 |
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GeA6 .1028 .0643 .1508 0.0119 0.0141 0.0071 0.0001 -.0003 0.0005 |
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ZnB1 .2668 .7644 .5085 0.0153 0.0145 0.0121 -.0005 0.0024 0.0022 |
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GeB2 .3875 .4077 .4721 0.0178 0.0129 0.0088 0.0012 0.0034 0.0003 |
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GeB3 .8930 .6183 .5169 0.0128 0.0146 0.0052 -.0005 -.0008 -.0002 |
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Caa1 .4168 .0996 .0004 0.041 0.055 0.012 -.031 0.000 0.009 |
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Caa2 .0814 .7646 -.0052 0.047 0.058 0.013 -0.037 0.002 -0.006 |
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Cab1 .4042 .0684 .3308 0.031 0.026 0.012 0.012 0.012 0.007 |
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Cab2 .6011 .6316 .3373 0.026 0.034 0.015 0.017 0.010 0.013 |
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Cab3 -.002 .346 .3297 .61 0.091 0.087 0.047 0.039 0.023 0.043 |
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Cab4a .125 .757 .3254 .37 0.027 0.022 0.006 -0.015 0.008 -0.002 |
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Cab4b .172 .696 .331 .41 .06 0.18 0.041 -0.01 -0.007 -0.03 |
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Cab5a .866 .936 .3437 .52 0.035 0.027 0.009 -0.003 0.005 -0.004 |
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Cab5b .834 .01 .332 .35 .11 0.17 0.03 -0.05 0.01 -0.02 |
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OA1 .562 .858 .0848 0.030 0.09 0.009 -0.033 0.004 -0.006 |
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OA2 .104 .061 .2612 0.029 0.049 0.001 0.008 0.000 -0.002 |
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OA3 .077 .541 .2297 0.027 0.054 0.009 0.021 0.002 -0.005 |
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OA4 .241 .920 .1034 .09 0.08 .01510 0.07 -0.004 -0.012 |
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OA5 .353 .602 .096 0.13 0.018 0.029 -0.034 0.04 -0.012 |
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OA6 .401 .797 .2578 0.028 0.017 0.011 0.006 -0.001 0.002 |
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OA7 .420 .329 .2393 0.030 0.18 0.026 0.05 0.012 0.04 |
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OA8 .168 .247 .0980 0.14 0.023 0.023 -0.040 -0.021 0.012 |
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OA9 .811 .762 .2343 0.062 0.033 0.010 0.028 0.003 0.004 |
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OA10 .748 .438 .2338 0.059 0.049 .01510 -0.038 0.007 -0.005 |
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OA11 .670 .100 .2435 0.11 0.025 0.019 0.008 0.032 -0.004 |
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OA12 .624 .281 .0802 0.053 0.08 0.008 -0.036 0.008 -0.012 |
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OA13 .881 .581 .0719 0.043 0.037 .01500 -0.013 0.007 0.000 |
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OA14 .931 .012 .0906 0.030 0.14 0.024 -0.045 -0.007 0.024 |
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OB1 .113 .136 .5934 0.024 0.029 .01500 -0.002 -0.002 -0.001 |
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OB2 .601 .908 .4157 0.023 0.030 0.009 0.005 0.008 -0.003 |
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OB3 .183 .940 .4316 0.072 0.025 0.008 0.025 0.009 0.004 |
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OB4 .344 .602 .423 0.09 0.019 0.025 0.017 0.029 0.009 |
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OB5 .235 .274 .4315 0.07 0.07 .01500 -0.05 0.001 0.002 |
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OB6 .916 .162 .4345 0.020 0.053 0.009 0.011 -0.002 -0.015 |
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OB7 .567 .352 .4174 0.030 0.13 0.011 0.043 0.004 0.012 |
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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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Melilite |
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Armbruster T, Rothlisberger F, Seifert F |
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American Mineralogist 75 (1990) 847-858 |
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Layer topology, stacking variation and site distortion in melilite-related |
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compounds in the system CaO-ZnO-GeO2-SiO2 |
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low-temperature polymorph |
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Ca2ZnGe1.25Si.75O7 |
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_database_code_amcsd 0001316 |
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9.112 7.900 9.380 90 114.03 90 P2_1/n |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Zn1 .82867 .09678 .11477 0.0081 0.0101 0.0100 0.0001 0.0044 0.0010 |
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Ge2 .87207 .45559 .20899 .734 0.0061 0.0061 0.0061 0 .00250 0 |
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Si2 .87207 .45559 .20899 .266 0.0061 0.0061 0.0061 0 .00250 0 |
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Ge3 .96891 .76878 .07667 .521 0.0059 0.0059 0.0059 0 .00240 0 |
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Si3 .96891 .76878 .07667 .479 0.0059 0.0059 0.0059 0 .00240 0 |
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Ca4 .4574 .2821 .0282 0.0087 0.0107 0.0071 0.0024 0.0026 0.0006 |
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Ca5 .2891 .5654 .2014 0.0120 0.0244 0.0092 0.0100 0.0043 0.0014 |
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O1 .0094 .5682 .1572 0.0102 0.0115 0.0137 0.0009 0.0053 0.0024 |
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O2 .6321 .0625 .1343 0.0104 0.0179 0.0142 0.0030 0.0071 0.0081 |
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O3 .6915 .4557 .0501 0.0086 0.0112 0.0084 -.0001 0.0033 0.0005 |
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O4 .9672 -.0987 .2191 0.0116 0.0085 0.0077 0.0016 0.0035 0.0001 |
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O5 .8564 .1810 -.0651 0.0120 0.0164 0.0103 0.0014 0.0055 0.0044 |
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O6 .9545 .2625 .2764 0.0145 0.0117 0.0073 -.0023 0.0009 -.0005 |
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O7 .2959 .7292 .4207 0.0122 0.0186 0.0134 -.0010 0.0047 -.0039 |
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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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Melilite |
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Armbruster T, Rothlisberger F |
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American Mineralogist 75 (1990) 963-969 |
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Crystal growth and structures of mixed-anion silicates-germanates: |
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Ca5[(Ge,Si)2O7][(Ge,Si)O4] and Na2Ca6[Si2O7][SiO4]2 |
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sample Ca5Ge2.23Si.77O11 |
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_database_code_amcsd 0001318 |
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10.912 8.695 11.000 90 96.87 90 C2/m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ge1 .5606 0 .2709 .73 0.0045 0.0125 0.0081 0 0.0001 0 |
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Si1 .5606 0 .2709 .27 0.0045 0.0125 0.0081 0 0.0001 0 |
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Ge2 .8106 0 .4631 .81 0.0094 0.0059 0.0068 0 -.0009 0 |
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Si2 .8106 0 .4631 .19 0.0094 0.0059 0.0068 0 -.0009 0 |
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Ge3 .7947 0 .0177 .69 0.0044 0.0079 0.0083 0 -.0002 0 |
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Si3 .7947 0 .0177 .31 0.0044 0.0079 0.0083 0 -.0002 0 |
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Ca1 -.0162 0 .2497 0.0060 0.0292 0.0077 0 -.0008 0 |
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Ca2 .2701 .1876 .2436 0.0092 0.0073 0.0167 -.0020 -.0043 0.0010 |
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Ca3 0 .2890 0 0.0161 0.0298 0.0113 0 0.0050 0 |
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Ca4 .5 .1768 .5 0.0212 0.0208 0.0233 0 -.0023 0 |
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O1 .4187 0 .3234 0.005 0.016 0.014 0 0.001 0 |
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O2 .8536 .1540 .1035 0.010 0.012 0.012 -0.002 -0.001 -0.002 |
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O3 .8701 .1546 .3925 0.011 0.008 0.014 -0.002 0 0.003 |
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O4 .8570 0 .8795 0.017 0.016 0.014 0 0.007 0 |
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O5 .6490 0 .4208 0.010 0.018 0.009 0 0.000 0 |
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O6 .1648 0 .3813 0.004 0.023 0.012 0 -0.002 0 |
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O7 .8594 .5 .0267 0.013 0.012 0.050 0 0.007 0 |
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O8 .5889 .8281 .2070 0.016 0.032 0.020 0.011 -0.008 -0.012 |
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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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Melilite |
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Armbruster T, Rothlisberger F |
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American Mineralogist 75 (1990) 963-969 |
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Crystal growth and structures of mixed-anion silicates-germanates: |
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Ca5[(Ge,Si)2O7][(Ge,Si)O4] and Na2Ca6[Si2O7][SiO4]2 |
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sample Na2Ca6Si4O15 |
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_database_code_amcsd 0001319 |
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5.525 17.413 14.489 90 90.57 90 P2_1/c |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na1 .7174 .43889 .4516 .37 0.0216 0.0115 0.0135 0.0015 -.0053 0.0001 |
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Ca1 .7174 .43889 .4516 .63 0.0216 0.0115 0.0135 0.0015 -.0053 0.0001 |
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Na2 .2481 .2755 .1549 .68 0.0295 0.0122 0.0154 0.0022 0.0052 0.0034 |
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Ca2 .2481 .2755 .1549 .32 0.0295 0.0122 0.0154 0.0022 0.0052 0.0034 |
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Na3 .2274 .6503 .2985 0.0220 0.0154 0.0224 0.0002 0.0036 -.0061 |
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Ca1 .2446 .74221 .98536 0.0089 0.0083 0.0112 0.0006 0.0008 0.0008 |
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Ca2 .1948 .56255 .09917 0.0098 0.0146 0.0080 0.0004 0.0001 0.0026 |
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Ca3 .7049 .73337 .12063 0.0129 0.0103 0.0103 0.0000 0.0008 0.0001 |
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Ca4 .2888 .56823 .85372 0.0155 0.0122 0.0099 -.0014 -.0003 0.0024 |
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Ca5 .2538 .44438 .29060 0.0098 0.0089 0.0079 0.0004 0.0006 0.0012 |
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Si1 .7302 .59724 .98371 0.0066 0.0064 0.0061 0.0002 0.0000 0.0003 |
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Si2 .2044 .80792 .21690 0.0105 0.0086 0.0054 0.0000 0.0001 -.0006 |
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Si3 .7257 .57795 .2677 0.0066 0.0063 0.0060 -.0006 0.0003 0.0004 |
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Si4 .7812 .61555 .4710 0.0092 0.0069 0.0070 0.0002 0.0003 -.0007 |
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O1 .6865 .5639 .3805 0.017 0.0128 0.0057 -.0052 0.0012 -.0010 |
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O2 .4700 .6346 .0073 0.0072 0.0117 0.019 0.0032 0.0037 0.0016 |
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O3 .4800 .5464 .2202 0.0083 0.0135 0.0106 -.0018 -.0019 0.0014 |
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O4 -.0622 .6581 .0163 0.0097 0.012 5 0.017 -.0029 -.0009 -.0038 |
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O5 .2598 .4171 .1272 0.024 0.013 0.0072 0.0001 0.0008 -.0007 |
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O6 .0556 .8563 .9557 0.013 0.016 0.018 0.0042 -.0006 0.0003 |
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O7 .2902 .7382 .1509 0.019 0.018 0.012 0.0045 0.0014 -.0055 |
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O8 -.0437 .5287 .2342 0.0098 0.019 0.012 0.0055 0.0013 0.0020 |
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O9 .3571 .6132 .6975 0.016 0.016 0.013 0.0083 0.0009 -.0004 |
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O10 .2245 .4832 .9643 0.0151 0.0099 0.013 0.0018 -.0006 0.0028 |
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O11a .217 .7118 .8282 .52 0.8 |
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O11d .282 .7111 .8259 .48 0.9 |
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O12 .6014 .8128 .9865 0.020 0.021 0.024 -.0112 -.0041 0.0094 |
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O13 .9175 .8248 .2009 0.0113 0.0110 0.023 0.0010 -.0011 -.0003 |
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O14 .7703 .6680 .2539 0.029 0.0088 0.014 -.0050 -.0019 0.0021 |
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O15a .199 .4506 .4493 .38 0.5 |
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O15b .268 .4492 .4495 .62 1.1 |
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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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Hardystonite |
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Bindi L, Bonazzi P, Rothlisberger F |
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American Mineralogist 86 (2001) 747-751 |
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Hardystonite from Franklin Furnace: A natural modulated melilite |
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_database_code_amcsd 0002657 |
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7.800 7.800 5.000 90 90 90 P-42_1m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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CaX .3326 .1674 .5059 .93 .0240 .0240 .0140 .0104 .0016 -.0016 |
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NaX .3326 .1674 .5059 .07 .0240 .0240 .0140 .0104 .0016 -.0016 |
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Zn1 0 0 0 .85 .0125 .0125 .0127 0 0 0 |
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Al1 0 0 0 .07 .0125 .0125 .0127 0 0 0 |
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Mg1 0 0 0 .03 .0125 .0125 .0127 0 0 0 |
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Mn1 0 0 0 .04 .0125 .0125 .0127 0 0 0 |
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Fe1 0 0 0 .02 .0125 .0125 .0127 0 0 0 |
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Si2 .1400 .3600 .9386 .0124 .0124 .0099 .0006 .0005 -.0005 |
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O1 .5 0 .1777 .038 .038 .009 -.026 0 0 |
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O2 .1410 .3590 .2569 .027 .027 .011 .010 -.002 .002 |
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O3 .0820 .1872 .7867 .045 .020 .017 -.010 .009 -.003 |
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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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