American Mineralogist Crystal Structure Database

6 matching records for this search.

Hedenbergite
Download hom/hedenbergite.pdf
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: hd10hk1a
_database_code_amcsd 0008998
9.8672 9.0469 5.2584 90 104.794 90 C2/c
atom      x      y      z U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
CaM2      0 .30034    .25 .01223 .01026 .00927       0 .00011       0
FeM1      0 .90742    .25 .00847 .00832 .00774       0 .00122       0
Si   .28782 .09250 .23271 .00685 .00779 .00650 -.00032 .00137 -.00033
O1   .11941 .09020 .15227 .00705 .01168 .00877  .00003 .00115  .00003
O2   .36288 .24625 .32396 .01347 .00860 .01159 -.00281 .00259 -.00104
O3   .35027 .01981 .99298 .00967 .01276 .00794 -.00055 .00247 -.00260
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View JMOL 3-D Structure (permalink)
 
Hedenbergite
Download hom/hedenbergite.pdf
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: hd8b41a
_database_code_amcsd 0008999
9.8605 9.0304 5.2690 90 105.138 90 C2/c
atom      x      y      z    occ U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
CaM2      0 .30041    .25        .01256 .00984 .00939       0 .00040       0
ZnM1      0 .90678    .25 .21074 .00829 .00837 .00765       0 .00148       0
FeM1      0 .90678    .25 .78926 .00829 .00837 .00765       0 .00148       0
Si   .28740 .09254 .23154        .00657 .00760 .00657 -.00015 .00162 -.00036
O1   .11852 .08959 .14970        .00735 .01107 .00897  .00040 .00174  .00039
O2   .36186 .24688 .32321        .01315 .00954 .01101 -.00279 .00283 -.00104
O3   .35024 .01947 .99333        .00877 .01272 .00868 -.00057 .00221 -.00315
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Hedenbergite
Download hom/hedenbergite.pdf
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: hd7gb21
_database_code_amcsd 0009000
9.8502 9.0294 5.2584 90 105.052 90 C2/c
atom      x      y      z    occ U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
CaM2      0 .30011    .25        .01081 .00853 .00734       0 .00030       0
ZnM1      0 .90676    .25 .16518 .00639 .00583 .00560       0 .00091       0
FeM1      0 .90676    .25 .83482 .00639 .00583 .00560       0 .00091       0
Si   .28753 .09231 .23216        .00491 .00557 .00458 -.00008 .00112 -.00025
O1   .11884 .08931 .15016        .00525 .00945 .00728  .00004 .00105 -.00025
O2   .36196 .24713 .32272        .01248 .00605 .00941 -.00279 .00220 -.00102
O3   .34997 .01949 .99382        .00723 .01045 .00649 -.00076 .00271 -.00356
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Hedenbergite
Download hom/hedenbergite.pdf
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: hd4gb31
_database_code_amcsd 0009001
9.8447 9.0175 5.2614 90 105.342 90 C2/c
atom      x      y      z    occ U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
CaM2      0 .30028    .25        .01205 .00861 .00856       0 .00059       0
ZnM1      0 .90626    .25 .49610 .00813 .00739 .00706       0 .00185       0
FeM1      0 .90626    .25 .50380 .00813 .00739 .00706       0 .00185       0
Si   .28698 .09254 .23096        .00656 .00648 .00619  .00009 .00202 -.00020
O1   .11790 .08924 .14787        .00669 .00933 .00838 -.00003 .00173  .00045
O2   .36135 .24721 .32224        .01223 .00699 .01064 -.00297 .00273 -.00072
O3   .35023 .01935 .99344        .00865 .01046 .00805 -.00060 .00340 -.00263
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Hedenbergite
Download hom/hedenbergite.pdf
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
_database_code_amcsd 0009002
9.8369 9.0043 5.2605 90 105.435 90 C2/c
atom      x      y      z    occ U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
CaM2      0 .30010    .25        .01122 .00797 .00753       0 .00041       0
ZnM1      0 .90608    .25 .58678 .00730 .00733 .00576       0 .00151       0
FeM1      0 .90608    .25 .41322 .00730 .00733 .00576       0 .00151       0
Si   .28691 .09250 .23055        .00538 .00571 .00495  .00023 .00159  .00012
O1   .11724 .08901 .14690        .00572 .00965 .00709  .00013 .00170  .00054
O2   .36128 .24775 .32200        .01158 .00780 .00866 -.00230 .00245 -.00102
O3   .35015 .01897 .99320        .00789 .01024 .00663 -.00008 .00306 -.00253
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Petedunnite
Download hom/petedunnite.pdf
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: pd9_1b
_database_code_amcsd 0009003
9.8243 8.9939 5.2608 90 105.794 90 C2/c
atom      x      y      z U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
CaM2      0 .30002    .25 .01122 .00946 .00867       0 -.00002       0
ZnM1      0 .90578    .25 .00806 .00874 .00762       0  .00132       0
Si   .28641 .09253 .22926 .00549 .00702 .00656 -.00003  .00125 -.00019
O1   .11631 .08909 .14432 .00532 .00993 .00717  .00041  .00029  .00105
O2   .36023 .24824 .32158 .01013 .00828 .01002 -.00251  .00135 -.00069
O3   .34991 .01895 .99359 .00762 .01077 .00798 -.00052  .00173 -.00215
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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Total number of retrieved datasets: 6
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