American Mineralogist Crystal Structure Database

3 matching records for this search.

Vesuvianite
Download hom/vesuvianite.pdf
Fitzgerald S, Rheingold A L, Leavens P B
Download am/vol71/AM71_1011.pdf
American Mineralogist 71 (1986) 1011-1014
Crystal structure of Cu-bearing vesuvianite
_database_code_amcsd 0001044
15.532 15.532 11.776 90 90 90  *P4/nnc
.25 .25 .25
atom      x      y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1    -.25    .25     0 .755   .008   .008   .009      0      0      0
Al1    -.25    .25     0 .245   .008   .008   .009      0      0      0
Si2  -.0404  .1810 .3713        .008   .006   .007   .000   .000   .000
Si3  -.0832 -.1509 .3647        .011   .006   .008   .000   .000   .000
Ca1    -.25    .25   .25        .012   .007   .007      0      0      0
Ca2  -.1890  .0441 .3793        .007   .009   .008   .001   .000   .000
Ca3   .1012  .3197 .3889        .009   .010   .016  -.003   .005  -.004
Cac     .25    .25 .6452  .14   .009   .009   .009      0      0      0
Mnc     .25    .25 .6452  .34   .009   .009   .009      0      0      0
Cub     .25    .25 .5588 .355   .007   .007   .019      0      0      0
Feb     .25    .25 .5588 .145   .007   .007   .019      0      0      0
Al1  -.1127  .1214 .1266 .795   .007   .008   .007   .000   .001   .000
Mg   -.1127  .1214 .1266  .07   .007   .008   .007   .000   .001   .000
Zn   -.1127  .1214 .1266 .121   .007   .008   .007   .000   .001   .000
Ala       0     .5    .5        .007   .006   .009   .000  -.001   .000
O1   -.2200  .1727 .0858        .012   .006   .010  -.001  .0000  -.001
O2   -.1168  .1598 .2791        .011   .011   .009  -.001  -.002   .003
O3   -.0489  .2219 .0755        .009   .008   .008   .001  -.001  .0000
O4   -.0615  .1062 .4702        .008   .006   .010   .001  -.001   .001
O5   -.1704  .0146 .1785        .011   .013   .010   .003   .002  -.001
O6    .1188  .2284 .5582        .021   .011   .014  -.002  -.005   .003
O7    .0564  .1738 .3222        .008   .013   .013   .001   .001   .000
O8    .0603  .4094 .5670        .010   .008   .011  -.001  -.003   .000
O9    .1448 -.1448   .25   .5   .013   .013   .007  -.002 -.0000   .000
OH10    .25    .25 .3635  .25   .007   .007   .015      0      0      0
F10     .25    .25 .3635 .533   .007   .007   .015      0      0      0
OH11 -.0039  .0619 .1363        .007   .010   .007   .000  -.001  -.002
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Vesuvianite
Download hom/vesuvianite.pdf
Fitzgerald S, Rheingold A L, Leavens P B
Download am/vol71/AM71_1483.pdf
American Mineralogist 71 (1986) 1483-1488
Crystal structure of a non-P4/nnc vesuvianite from Asbestos, Quebec
_database_code_amcsd 0001060
15.504 15.504 11.808 90 90 90 *P4/n
.25 -.25 0
atom       x      y      z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1a    -.25    .25     .5             .006   .006   .004      0      0      0
Si1b    -.25    .25      0  .49        .006   .006   .005      0      0      0
Al1b    -.25    .25      0  .51        .006   .006   .005      0      0      0
Si2a  -.0399  .3180  .1308             .006   .005   .005   .001   .001   .000
Si2b  -.0422  .1797  .3727             .005   .005   .006   .000   .000   .000
Si3a   .0795  .1506  .6364             .007   .005   .005  -.001   .000   .000
Si3b   .0889  .3482 -.1335             .009   .004   .005  -.001   .001  -.001
Ca1a    -.25    .25  .2498             .011   .006   .004  -.001      0      0
Ca2a   .1902 -.0421  .6215             .007   .008   .008   .000  -.001   .000
Ca2b  -.0457  .1880 -.1191             .009   .006   .007   .001   .000   .000
Ca3a   .1782  .4005  .1222             .011   .009   .014  -.002  -.002   .002
Ca3b   .3147  .3958 -.6043             .010   .009   .013   .001  -.001  -.003
Cac1     .25    .25 -.3498  .68 .009
Cac2     .25    .25 -.1499  .26 .008
Mnc2     .25    .25 -.1499  .06 .008
Al1a  -.1136  .1194  .1253             .007   .008   .008   .000   .001   .000
Al1b  -.1229  .1111  .6266             .006   .005   .007   .000   .000   .000
Ala1       0      0     .5             .005   .005   .006   .001   .001  -.001
Ala2       0     .5      0 .914        .005   .005   .009  -.001   .000   .001
Mga2       0     .5      0 .186        .005   .005   .009  -.001   .000   .001
Alb1     .25    .25 -.0297   .5 .003
Alb2     .25    .25 -.4652   .5 .003
O1a   -.2215  .1723  .0858             .011   .007   .006   .001   .001   .001
O1b   -.2823  .1733  .4144             .008   .006   .006  -.001   .000   .001
O2a   -.1187  .1574  .2808             .007   .008   .009   .000  -.002   .002
O2b   -.1166  .3384  .2239             .010   .009   .005   .000   .002   .001
O3a   -.0480  .2213  .0768             .010   .009   .008   .000  -.002   .000
O3b   -.0496  .2772  .4240             .008   .007   .007   .000   .001   .000
O4a   -.0638  .1054  .4728             .008   .006   .007   .001  -.001   .001
O4b   -.0613  .3933  .0326             .011   .006   .010   .002   .004   .001
O5a   -.0088  .3270 -.1757             .012   .007   .010  -.002  -.002   .001
O5b   -.0190  .1677  .6795             .010   .008   .006   .001   .001  -.001
O6a    .1290  .2719 -.0576             .020   .011   .011   .004   .000   .003
O6b    .1135  .2293  .5624             .016   .010   .011  -.004  -.004   .005
O7a    .0555  .1701  .3262             .009   .014   .006   .003   .000  -.001
O7b    .0559  .3250  .1827             .006   .010   .013  -.001   .001  -.001
O8a    .0929  .4381 -.0631             .008   .006   .010   .001   .000  -.002
O8b    .0899  .0603  .5687             .006   .007   .012   .000  -.003  -.003
O9a    .1418  .1481  .7510             .009   .011   .007  -.002  -.001   .001
O10a     .25    .25  .1235   .5        .010   .010   .015      0      0      0
OH10a    .25    .25  .1235   .5        .010   .010   .015      0      0      0
O10b    -.25   -.25 -.3568   .5        .009   .009   .011      0      0      0
OH10b   -.25   -.25 -.3568   .5        .009   .009   .011      0      0      0
OH11a -.0054  .0592  .1369             .013   .013   .007  -.004   .000  -.001
OH11b -.0640 -.0040  .6351             .013   .008   .007   .000   .002   .001
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Vesuvianite
Download hom/vesuvianite.pdf
Fitzgerald S, Leavens P B, Rheingold A L, Nelen J A
Download am/vol72/AM72_625.pdf
American Mineralogist 72 (1987) 625-628
Crystal structure of a REE-bearing vesuvianite from San Benito County,
California
_database_code_amcsd 0001092
15.799 15.799 11.917 90 90 90 *P4/n
.25 -.25 0
atom       x      y      z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1a    -.25    .25     .5     .008   .008   .008   .004      0      0      0
Si1b    -.25    .25      0     .010   .008   .008   .015      0      0      0
Si2a  -.0404  .3187  .1279     .010   .014   .009   .008   .000   .001  -.001
Si2b  -.0408  .1812  .3726     .012   .011   .011   .015  -.000  -.002  -.001
Si3a   .0848  .1507  .6375     .010   .012   .008   .011  -.000  -.001   .000
Si3b   .0851  .3489 -.1371     .010   .011   .010   .008   .000  -.000  -.002
Ca1a    -.25    .25  .2496     .014   .021   .013   .010      0      0  -.000
Ca2a   .1893 -.0477  .6219     .012   .011   .013   .014  -.000  -.001   .000
Ca2b  -.0474  .1893 -.1220     .013   .014   .011   .013   .001  -.000   .002
Ca3a   .1784  .3985  .1094 .64 .014
Ce3a   .1784  .3985  .1094 .42 .012   .009   .012   .016   .003   .000   .005
Ca3b   .3219  .3988 -.6087 .31 .014
Ce3b   .3219  .3988 -.6087 .51 .013   .010   .014   .016  -.002  -.000   .005
Cac1     .25    .25 -.3530     .033   .038   .038   .021      0      0      0
Cac2     .25    .25 -.1453     .015   .015   .015   .017      0      0      0
Mg1a   .0002 -.1108  .1197  .5 .014
Fe1a   .0002 -.1108  .1197  .5 .005   .009   .002   .003  -.002   .002   .002
Mg1b  -.1204  .1114  .6266  .5 .014
Fe1b  -.1204  .1114  .6266  .5 .007   .008   .007   .008  -.003  -.001  -.005
Ala1       0      0     .5     .018   .019   .017   .019  -.001  -.001  -.000
Ala2       0     .5      0     .023   .018   .018   .032  -.000   .004  -.001
Feb1     .25    .25 -.0511     .019   .012   .012   .033      0      0      0
Feb2     .25    .25 -.4574     .022   .018   .018   .030      0      0      0
O1a   -.2245  .1739  .0852     .012   .016   .010   .009   .004  -.001  -.003
O1b   -.2786  .1731  .4143     .015   .021   .009   .014   .005   .002  -.000
O2a   -.1171  .1626  .2821     .014   .018   .008   .017  -.000  -.004   .002
O2b   -.1169  .3372  .2183     .014   .012   .013   .016  -.002   .001  -.003
O3a   -.0448  .2244  .0710     .013   .013   .011   .015  -.007  -.001   .004
O3b   -.0469  .2767  .4264     .012   .012   .012   .012   .002   .003   .003
O4a   -.0594  .1045  .4690     .012   .013   .014   .008   .000  -.002   .004
O4b   -.0592  .3925   .033     .012   .017   .008   .011   .003  -.002   .001
O5a   -.0087  .3272 -.1805     .014   .011   .018   .013  -.006  -.001  -.006
O5b   -.0103  .1723  .6797     .014   .016   .013   .014  -.001  -.004   .002
O6a    .1209  .2755 -.0584     .020   .025   .019   .017   .010   .000   .003
O6b    .1225  .2224  .5534     .017   .015   .022   .015  -.007  -.003   .002
O7a    .0554  .1757  .3227     .016   .010   .015   .022  -.002  -.001   .001
O7b    .0573  .3242  .1777     .015   .016   .016   .013  -.002  -.003  -.001
O8a    .0937  .4390 -.0733     .014   .014   .017   .012   .000   .006   .001
O8b    .0953  .0594  .5730     .013   .018   .004   .016  -.004   .002   .001
O9a    .1474  .1475  .7500     .014   .016   .013   .012  -.002  -.000  -.002
OH10a    .25    .25  .1397     .037   .027   .027   .057      0      0      0
OH10b   -.25   -.25 -.3603     .036   .022   .022   .062      0      0      0
O11a  -.0019  .0630  .1366     .016   .015   .015   .020   .002  -.002  -.003
O11b  -.0625  .0011  .6352     .015   .013   .018   .013   .002  -.000   .002
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: 3
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