American Mineralogist Crystal Structure Database

10 matching records for this search.

Beryl
Download hom/beryl.pdf
Gatta G D, Nestola F, Bromiley G D, Mattauch S
Download am/vol91/AM91_29.pdf
American Mineralogist 91 (2006) 29-34
The real topological configuration of the extra-framework content in
alkali-poor beryl: a multi-methodological study
Locality: Shengus, Haramosh Mts, Gilgit, Northern Areas, Pakistan
_database_code_amcsd 0003994
9.2099 9.2099 9.1894 90 90 120 P6/mcc
atom      x      y     z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Al      2/3    1/3   .25      .0029  .0018  .0018  .0052  .0009      0      0
Be       .5      0   .25      .0057  .0065  .0039  .0059  .0019      0      0
Si    .3870  .1157     0      .0032  .0035  .0029  .0042  .0023      0      0
O1    .3096  .2361     0      .0079  .0075  .0074  .0119  .0059      0      0
O2    .4987  .1454 .1452      .0056  .0064  .0046  .0056  .0027 -.0031 -.0016
Ow        0      0   .25  .34  .071
H    -.0287 -.0709 .3327 .056   .04
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Topaz
Download hom/topaz.pdf
Diego Gatta G, Nestola F, Bromiley G D, Loose A
Download am/vol91/AM91_1839.pdf
American Mineralogist 91 (2006) 1839-1846
New insight into crystal chemistry of topaz: a multi-methodological study
Locality: Ouro Preto, Minas Gerias, Brazil
Sample: X-ray refinement at T = 298 K
Note: x(F4) corrected
_database_code_amcsd 0004243
4.6601 8.8260 8.3778 90 90 90 Pbnm
atom      x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Al    .9053 .13131  .0816     .0039  .0034  .0040 .00436 .00008 -.00010 .00008
Si   .39976 .94088    .25     .0033  .0027  .0036  .0038  .0001       0      0
O1    .7064  .0311    .25      .005  .0041  .0054  .0054  .0017       0      0
O2    .4516  .7564    .25     .0049  .0059  .0037  .0050  .0009       0      0
O3    .2114 .98979 .09284     .0047  .0046  .0047  .0047  .0007  -.0011 -.0003
F4    .5982 .25263 .05988     .0083  .0075  .0084  .0089 -.0023   .0005  .0013
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Topaz
Download hom/topaz.pdf
Diego Gatta G, Nestola F, Bromiley G D, Loose A
Download am/vol91/AM91_1839.pdf
American Mineralogist 91 (2006) 1839-1846
New insight into crystal chemistry of topaz: a multi-methodological study
Locality: Ouro Preto, Minas Gerias, Brazil
Sample: Neutron refinement at T = 298 K
_database_code_amcsd 0004244
4.667 8.834 8.395 90 90 90 Pbnm
atom     x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Al   .9051 .13123  .0817     .0037  .0037  .0026  .0048  .0002 -.00001  .0002
Si   .3996 .94088    .25     .0030  .0026  .0020  .0045  .0003       0      0
O1   .7059 .03129    .25     .0045  .0038  .0041  .0054 -.0011       0      0
O2   .4529 .75627    .25     .0046  .0055  .0026  .0057  .0008       0      0
O3   .2114 .98961 .09270     .0045  .0043  .0037  .0054  .0008  -.0011 -.0002
F4   .5976 .25265 .05971 .78 .0067  .0060  .0056  .0084  .0022  -.0008  .0010
O4   .5976 .25265 .05971 .22 .0067  .0060  .0056  .0084  .0022  -.0008  .0010
H4    .495   .252  .1629 .22  .037   .041   .049   .019   .026    .015   .014
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Topaz
Download hom/topaz.pdf
Diego Gatta G, Nestola F, Bromiley G D, Loose A
Download am/vol91/AM91_1839.pdf
American Mineralogist 91 (2006) 1839-1846
New insight into crystal chemistry of topaz: a multi-methodological study
Locality: Ouro Preto, Minas Gerias, Brazil
Sample: Neutron refinement at T = 10 K
_database_code_amcsd 0004245
4.657 8.838 8.426 90 90 90 Pbnm
atom     x     y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Al   .9056 .1313  .0817     .0029  .0028  .0013 .00472  .0003  -.0005  .0006
Si   .3996 .9409    .25     .0027  .0018  .0011  .0052  .0003       0      0
O1   .7069 .0312    .25     .0038  .0039  .0026  .0050 -.0004       0      0
O2   .4528 .7562    .25     .0039  .0042  .0014  .0062  .0012       0      0
O3   .2117 .9899  .0926     .0037  .0031  .0020  .0061  .0006  -.0006  .0001
F4   .5973 .2525 .05992 .79 .0047  .0040  .0028  .0072  .0008  -.0003 -.0001
O4   .5973 .2525 .05992 .21 .0047  .0040  .0028  .0072  .0008  -.0003 -.0001
H4    .492  .251  .1637 .21  .025   .027   .027   .022   .010    .015   .008
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: 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
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: 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)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 10
View in amc, download in amc

Return to AMCSD Home Page