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Hedenbergite |
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Heuer M, Huber A L, Bromiley G D, Fehr K T, Bente K |
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Physics and Chemistry of Minerals 32 (2005) 552-563 |
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Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6) |
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solid solution series by X-ray single crystal diffraction |
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Sample: hd10hk1a |
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_database_code_amcsd 0008998 |
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9.8672 9.0469 5.2584 90 104.794 90 C2/c |
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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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CaM2 0 .30034 .25 .01223 .01026 .00927 0 .00011 0 |
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FeM1 0 .90742 .25 .00847 .00832 .00774 0 .00122 0 |
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Si .28782 .09250 .23271 .00685 .00779 .00650 -.00032 .00137 -.00033 |
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O1 .11941 .09020 .15227 .00705 .01168 .00877 .00003 .00115 .00003 |
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O2 .36288 .24625 .32396 .01347 .00860 .01159 -.00281 .00259 -.00104 |
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O3 .35027 .01981 .99298 .00967 .01276 .00794 -.00055 .00247 -.00260 |
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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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Hedenbergite |
|
Heuer M, Huber A L, Bromiley G D, Fehr K T, Bente K |
| |
Physics and Chemistry of Minerals 32 (2005) 552-563 |
|
Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6) |
|
solid solution series by X-ray single crystal diffraction |
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Sample: hd8b41a |
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_database_code_amcsd 0008999 |
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9.8605 9.0304 5.2690 90 105.138 90 C2/c |
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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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CaM2 0 .30041 .25 .01256 .00984 .00939 0 .00040 0 |
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ZnM1 0 .90678 .25 .21074 .00829 .00837 .00765 0 .00148 0 |
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FeM1 0 .90678 .25 .78926 .00829 .00837 .00765 0 .00148 0 |
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Si .28740 .09254 .23154 .00657 .00760 .00657 -.00015 .00162 -.00036 |
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O1 .11852 .08959 .14970 .00735 .01107 .00897 .00040 .00174 .00039 |
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O2 .36186 .24688 .32321 .01315 .00954 .01101 -.00279 .00283 -.00104 |
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O3 .35024 .01947 .99333 .00877 .01272 .00868 -.00057 .00221 -.00315 |
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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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|
Hedenbergite |
|
Heuer M, Huber A L, Bromiley G D, Fehr K T, Bente K |
| |
Physics and Chemistry of Minerals 32 (2005) 552-563 |
|
Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6) |
|
solid solution series by X-ray single crystal diffraction |
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Sample: hd7gb21 |
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_database_code_amcsd 0009000 |
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9.8502 9.0294 5.2584 90 105.052 90 C2/c |
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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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CaM2 0 .30011 .25 .01081 .00853 .00734 0 .00030 0 |
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ZnM1 0 .90676 .25 .16518 .00639 .00583 .00560 0 .00091 0 |
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FeM1 0 .90676 .25 .83482 .00639 .00583 .00560 0 .00091 0 |
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Si .28753 .09231 .23216 .00491 .00557 .00458 -.00008 .00112 -.00025 |
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O1 .11884 .08931 .15016 .00525 .00945 .00728 .00004 .00105 -.00025 |
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O2 .36196 .24713 .32272 .01248 .00605 .00941 -.00279 .00220 -.00102 |
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O3 .34997 .01949 .99382 .00723 .01045 .00649 -.00076 .00271 -.00356 |
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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
|
| |
|
Hedenbergite |
|
Heuer M, Huber A L, Bromiley G D, Fehr K T, Bente K |
| |
Physics and Chemistry of Minerals 32 (2005) 552-563 |
|
Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6) |
|
solid solution series by X-ray single crystal diffraction |
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Sample: hd4gb31 |
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_database_code_amcsd 0009001 |
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9.8447 9.0175 5.2614 90 105.342 90 C2/c |
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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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CaM2 0 .30028 .25 .01205 .00861 .00856 0 .00059 0 |
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ZnM1 0 .90626 .25 .49610 .00813 .00739 .00706 0 .00185 0 |
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FeM1 0 .90626 .25 .50380 .00813 .00739 .00706 0 .00185 0 |
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Si .28698 .09254 .23096 .00656 .00648 .00619 .00009 .00202 -.00020 |
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O1 .11790 .08924 .14787 .00669 .00933 .00838 -.00003 .00173 .00045 |
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O2 .36135 .24721 .32224 .01223 .00699 .01064 -.00297 .00273 -.00072 |
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O3 .35023 .01935 .99344 .00865 .01046 .00805 -.00060 .00340 -.00263 |
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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
|
| |
|
Hedenbergite |
|
Heuer M, Huber A L, Bromiley G D, Fehr K T, Bente K |
| |
Physics and Chemistry of Minerals 32 (2005) 552-563 |
|
Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6) |
|
solid solution series by X-ray single crystal diffraction |
|
Sample: hd3gb31 |
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_database_code_amcsd 0009002 |
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9.8369 9.0043 5.2605 90 105.435 90 C2/c |
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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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CaM2 0 .30010 .25 .01122 .00797 .00753 0 .00041 0 |
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ZnM1 0 .90608 .25 .58678 .00730 .00733 .00576 0 .00151 0 |
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FeM1 0 .90608 .25 .41322 .00730 .00733 .00576 0 .00151 0 |
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Si .28691 .09250 .23055 .00538 .00571 .00495 .00023 .00159 .00012 |
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O1 .11724 .08901 .14690 .00572 .00965 .00709 .00013 .00170 .00054 |
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O2 .36128 .24775 .32200 .01158 .00780 .00866 -.00230 .00245 -.00102 |
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O3 .35015 .01897 .99320 .00789 .01024 .00663 -.00008 .00306 -.00253 |
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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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|
Petedunnite |
|
Heuer M, Huber A L, Bromiley G D, Fehr K T, Bente K |
| |
Physics and Chemistry of Minerals 32 (2005) 552-563 |
|
Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6) |
|
solid solution series by X-ray single crystal diffraction |
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Sample: pd9_1b |
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_database_code_amcsd 0009003 |
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9.8243 8.9939 5.2608 90 105.794 90 C2/c |
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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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CaM2 0 .30002 .25 .01122 .00946 .00867 0 -.00002 0 |
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ZnM1 0 .90578 .25 .00806 .00874 .00762 0 .00132 0 |
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Si .28641 .09253 .22926 .00549 .00702 .00656 -.00003 .00125 -.00019 |
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O1 .11631 .08909 .14432 .00532 .00993 .00717 .00041 .00029 .00105 |
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O2 .36023 .24824 .32158 .01013 .00828 .01002 -.00251 .00135 -.00069 |
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O3 .34991 .01895 .99359 .00762 .01077 .00798 -.00052 .00173 -.00215 |
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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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