American Mineralogist Crystal Structure Database

78 matching records for this search.

Richterite
Download hom/richterite.pdf
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C
Download am/vol78/AM78_633.pdf
American Mineralogist 78 (1993) 633-640
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of
synthetic magnesium cobalt potassium richterite
Sample: KNi0
Atomic parameters from ICSD
_database_code_amcsd 0001574
10.0547 17.997 5.2746 90 104.832 90 C2/m
atom     x     y     z occ Biso
Si1  .2761 .0859 .3013      0.4
Si2  .2843  .171 .8024      0.4
Mg1      0 .0895    .5      0.6
Mg2      0 .1798     0      0.6
Mg3      0     0     0      0.6
Na       0 .2761    .5  .5  0.9
Ca       0 .2761    .5  .5  0.9
K    .0213    .5 .0278  .5  2.3
O1   .1079  .088 .2149      0.8
O2   .1136 .1716 .7176      0.8
OH3  .1078     0 .7236      0.8
O4   .3542 .2486 .7854      0.8
O5   .3345   .13 .0945      1.1
O6   .3399 .1159  .603      1.1
O7   .3271     0 .3072      1.2
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Richterite
Download hom/richterite.pdf
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C
Download am/vol78/AM78_633.pdf
American Mineralogist 78 (1993) 633-640
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of
synthetic magnesium cobalt potassium richterite
Sample: KNi20
Atomic parameters from ICSD
_database_code_amcsd 0001575
10.0536 17.982 5.2702 90 104.879 90 C2/m
atom     x     y     z occ Biso
Si1  .2761 .0849  .303      0.4
Si2  .2844 .1715 .8034      0.4
Mg1      0 .0901    .5 .72  0.6
Ni1      0 .0901    .5 .28  0.6
Mg2      0 .1790     0  .9  0.6
Ni2      0 .1790     0  .1  0.6
Mg3      0     0     0 .62  0.6
Ni3      0     0     0 .38  0.6
Na       0 .2763    .5  .5  0.9
Ca       0 .2763    .5  .5  0.9
K    .0183    .5 .0378  .5  2.3
O1   .1101 .0888 .2154      0.8
O2   .1146 .1727 .7238      0.8
OH3  .1067     0 .7095      0.8
O4   .3572 .2502 .7801      0.8
O5   .3417 .1316 .0951      1.1
O6   .3377 .1170 .5987      1.1
O7   .3297     0 .3095      1.2
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Richterite
Download hom/richterite.pdf
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C
Download am/vol78/AM78_633.pdf
American Mineralogist 78 (1993) 633-640
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of
synthetic magnesium cobalt potassium richterite
Sample: KNi40
Atomic parameters from ICSD
_database_code_amcsd 0001576
10.0492 17.975 5.2661 90 104.904 90 C2/m
atom     x     y     z occ Biso
Si1  .2757 .0856 .3023      0.4
Si2  .2839 .1698 .8038      0.4
Mg1      0 .0899    .5 .46  0.6
Ni1      0 .0899    .5 .54  0.6
Mg2      0 .1790     0 .73  0.6
Ni2      0 .1790     0 .27  0.6
Mg3      0     0     0 .37  0.6
Ni3      0     0     0 .63  0.6
Na       0  .275    .5  .5  0.9
Ca       0  .275    .5  .5  0.9
K    .0149    .5 .0303  .5  2.3
O1   .1074 .0888 .2082      0.8
O2   .1159 .1713 .7225      0.8
OH3  .1069     0 .7234      0.8
O4   .3568 .2475 .7940      0.8
O5   .3420 .1304 .1028      1.1
O6   .3413 .1152 .6003      1.1
O7   .3287     0 .2999      1.2
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Richterite
Download hom/richterite.pdf
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C
Download am/vol78/AM78_633.pdf
American Mineralogist 78 (1993) 633-640
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of
synthetic magnesium cobalt potassium richterite
Sample: KNi60
Atomic parameters from ICSD
_database_code_amcsd 0001577
10.0436 17.962 5.2633 90 104.936 90 C2/m
atom     x     y     z occ Biso
Si1  .2747 .0855 .3048      0.4
Si2  .2853 .1699 .8048      0.4
Mg1      0 .0895    .5 .25  0.6
Ni1      0 .0895    .5 .75  0.6
Mg2      0 .1788     0 .54  0.6
Ni2      0 .1788     0 .46  0.6
Mg3      0     0     0  .2  0.6
Ni3      0     0     0  .8  0.6
Na       0 .2748    .5  .5  0.9
Ca       0 .2748    .5  .5  0.9
K    .0176    .5 .0396  .5  2.3
O1   .1096 .0885 .2160      0.8
O2   .1152 .1725 .7228      0.8
OH3  .1067     0 .7191      0.8
O4   .3556 .2471 .7892      0.8
O5   .3426 .1299 .1035      1.1
O6   .3396 .1159 .5997      1.1
O7   .3330     0 .3112      1.2
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Richterite
Download hom/richterite.pdf
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C
Download am/vol78/AM78_633.pdf
American Mineralogist 78 (1993) 633-640
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of
synthetic magnesium cobalt potassium richterite
Sample: KNi80
Atomic parameters from ICSD
_database_code_amcsd 0001578
10.0382 17.954 5.2610 90 104.954 90 C2/m
atom     x     y     z occ Biso
Si1  .2723 .0851 .3014      0.4
Si2  .2871 .1705 .8067      0.4
Mg1      0 .0899    .5  .1  0.6
Ni1      0 .0899    .5  .9  0.6
Mg2      0 .1785     0 .33  0.6
Ni2      0 .1785     0 .67  0.6
Mg3      0     0     0 .07  0.6
Ni3      0     0     0 .93  0.6
Na       0 .2734    .5  .5  0.9
Ca       0 .2734    .5  .5  0.9
K    .0227    .5 .0402  .5  2.3
O1   .1058 .0882 .2131      0.8
O2   .1184 .1711 .7310      0.8
OH3  .1045     0 .7150      0.8
O4   .3590 .2457 .7919      0.8
O5   .3434 .1310 .1050      1.1
O6   .3396 .1154 .6011      1.1
O7   .3322     0 .3046      1.2
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Richterite
Download hom/richterite.pdf
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C
Download am/vol78/AM78_633.pdf
American Mineralogist 78 (1993) 633-640
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of
synthetic magnesium cobalt potassium richterite
Sample: KNi100
Atomic parameters from ICSD
_database_code_amcsd 0001579
10.0297 17.942 5.2576 90 104.982 90 C2/m
atom     x     y     z occ Biso
Si1  .2744 .0852 .3027      0.4
Si2  .2849 .1708 .8055      0.4
Ni1      0 .0895    .5      0.6
Ni2      0 .1784     0      0.6
Ni3      0     0     0      0.6
Na       0 .2740    .5  .5  0.9
Ca       0 .2740    .5  .5  0.9
K    .0231    .5 .0380  .5  2.3
O1   .1050 .0889 .2124      0.8
O2   .1169 .1697 .7329      0.8
OH3  .1071     0 .7132      0.8
O4   .3593 .2455 .7855      0.8
O5   .3470 .1333 .1093      1.1
O6   .3375 .1168 .5993      1.1
O7   .3336     0 .3137      1.2
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Richterite
Download hom/richterite.pdf
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C
Download am/vol78/AM78_633.pdf
American Mineralogist 78 (1993) 633-640
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of
synthetic magnesium cobalt potassium richterite
Sample: KCo20
Atomic parameters from ICSD
_database_code_amcsd 0001580
10.0711 18.015 5.2760 90 104.836 90 C2/m
atom     x     y     z occ Biso
Si1  .2747 .0855 .3012      0.4
Si2  .2851  .171 .8022      0.4
Mg1      0 .0902    .5 .76  0.6
Co1      0 .0902    .5 .24  0.6
Mg2      0   .18     0 .86  0.6
Co2      0   .18     0 .14  0.6
Mg3      0     0     0 .75  0.6
Co3      0     0     0 .25  0.6
Na       0 .2757    .5  .5  0.9
Ca       0 .2757    .5  .5  0.9
K    .0178    .5 .0321  .5  2.3
O1   .1083 .0887 .2138      0.8
O2   .1184 .1721 .7233      0.8
OH3  .1087     0 .7158      0.8
O4   .3574 .2485 .7876      0.8
O5   .3395 .1308 .0965      1.1
O6    .339 .1162 .5955      1.1
O7   .3308     0 .3091      1.2
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Richterite
Download hom/richterite.pdf
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C
Download am/vol78/AM78_633.pdf
American Mineralogist 78 (1993) 633-640
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of
synthetic magnesium cobalt potassium richterite
Sample: KCo40
Atomic parameters from ICSD
_database_code_amcsd 0001581
10.0817 18.021 5.2753 90 104.832 90 C2/m
atom     x     y     z occ Biso
Si1  .2763 .0856 .3037      0.4
Si2  .2846 .1707 .8040      0.4
Mg1      0 .0907    .5 .55  0.6
Co1      0 .0907    .5 .45  0.6
Mg2      0 .1792     0 .71  0.6
Co2      0 .1792     0 .29  0.6
Mg3      0     0     0  .5  0.6
Co3      0     0     0  .5  0.6
Na       0 .2758    .5  .5  0.9
Ca       0 .2758    .5  .5  0.9
K    .0189    .5 .0343  .5  2.3
O1   .1094 .0884 .2062      0.8
O2   .1178 .1742 .7224      0.8
OH3  .1059     0 .7106      0.8
O4   .3574 .2467 .7820      0.8
O5   .3424 .1315 .1024      1.1
O6   .3392 .1177 .5954      1.1
O7   .3302     0 .3072      1.2
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Richterite
Download hom/richterite.pdf
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C
Download am/vol78/AM78_633.pdf
American Mineralogist 78 (1993) 633-640
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of
synthetic magnesium cobalt potassium richterite
Sample: KCo60
Atomic parameters from ICSD
_database_code_amcsd 0001582
10.0923 18.032 5.2742 90 104.829 90 C2/m
atom     x     y     z occ Biso
Si1  .2806 .0867 .3025      0.4
Si2  .2822 .1714 .8040      0.4
Mg1      0 .0895    .5 .38  0.6
Co1      0 .0895    .5 .62  0.6
Mg2      0 .1797     0  .5  0.6
Co2      0 .1797     0  .5  0.6
Mg3      0     0     0 .32  0.6
Co3      0     0     0 .68  0.6
Na       0 .2732    .5  .5  0.9
Ca       0 .2732    .5  .5  0.9
K    .0146    .5 .0572  .5  2.3
O1   .1130 .0909 .2089      0.8
O2   .1121 .1735 .7124      0.8
OH3  .1026     0 .7137      0.8
O4   .3549 .2470 .7808      0.8
O5   .3428 .1313 .1006      1.1
O6   .3413 .1166 .6083      1.1
O7   .3270     0 .3066      1.2
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Richterite
Download hom/richterite.pdf
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C
Download am/vol78/AM78_633.pdf
American Mineralogist 78 (1993) 633-640
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of
synthetic magnesium cobalt potassium richterite
Sample: KCo80
Atomic parameters from ICSD
_database_code_amcsd 0001583
10.1065 18.052 5.2743 90 104.844 90 C2/m
atom     x     y     z occ Biso
Si1  .2719 .0859 .3010      0.4
Si2  .2912 .1699 .8074      0.4
Mg1      0  .092    .5 .21  0.6
Co1      0  .092    .5 .79  0.6
Mg2      0 .1805     0  .3  0.6
Co2      0 .1805     0  .7  0.6
Mg3      0     0     0 .16  0.6
Co3      0     0     0 .84  0.6
Na       0 .2763    .5  .5  0.9
Ca       0 .2763    .5  .5  0.9
K    .0243    .5 .0240  .5  2.3
O1   .1067 .0897 .2101      0.8
O2   .1223 .1737 .7163      0.8
OH3  .0978     0 .7161      0.8
O4   .3578 .2448 .7786      0.8
O5   .3433 .1302 .1037      1.1
O6   .3414  .115 .5877      1.1
O7   .3342     0 .3111      1.2
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Richterite
Download hom/richterite.pdf
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C
Download am/vol78/AM78_633.pdf
American Mineralogist 78 (1993) 633-640
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of
synthetic magnesium cobalt potassium richterite
Sample: KCo100
Atomic parameters from ICSD
_database_code_amcsd 0001584
10.1166 18.066 5.2752 90 104.846 90 C2/m
atom     x     y     z occ Biso
Si1  .2726 .0864 .3008      0.4
Si2  .2912 .1710 .8051      0.4
Co1      0 .0899    .5      0.6
Co2      0 .1808     0      0.6
Co3      0     0     0      0.6
Na       0 .2742    .5  .5  0.9
Ca       0 .2742    .5  .5  0.9
K    .0202    .5 .0120  .5  2.3
O1   .1066 .0890 .2166      0.8
O2   .1227 .1722 .7199      0.8
OH3  .1085     0 .7256      0.8
O4   .3607 .2413 .7867      0.8
O5   .3427 .1317 .1025      1.1
O6   .3443 .1133 .5956      1.1
O7   .3325     0 .3202      1.2
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Richterite
Download hom/richterite.pdf
Della Ventura G, Robert J-L, Beny J-M, Raudsepp M, Hawthorne F C
Download am/vol78/AM78_980.pdf
American Mineralogist 78 (1993) 980-987
The OH-F substitution in Ti-rich potassium richterite: Rietveld structure
refinement and FTIR and micro-Raman spectroscopic studies of synthetic
amphiboles in the system K2O-Na2O-CaO-MgO-SiO2-TiO2-H2O-HF
Sample Rich58
Atomic parameters from ICSD
_database_code_amcsd 0001609
10.0746 18.0337 5.2979 90 104.906 90 C2/m
atom     x     y     z occ Biso
O1   .1113 .0878 .2141       .8
O2   .1163 .1713 .7245       .8
O3   .1063     0 .7174       .8
O4   .3548 .2474 .7939       .8
O5   .3398 .1293  .098      1.1
O6   .3363 .1162 .5859      1.1
OH   .3304     0 .3071      1.2
Si1   .283  .085 .3023       .4
Si2   .283 .1708 .8091 .85   .4
Ti    .283 .1708 .8091 .15   .4
Mg1      0 .0897    .5       .6
Mg2      0 .1797     0       .6
Mg3      0     0     0       .6
Na       0  .277    .5  .5   .9
Ca       0  .277    .5  .5   .9
K    .0179    .5 .0427  .5  2.3
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Richterite
Download hom/richterite.pdf
Della Ventura G, Robert J-L, Beny J-M, Raudsepp M, Hawthorne F C
Download am/vol78/AM78_980.pdf
American Mineralogist 78 (1993) 980-987
The OH-F substitution in Ti-rich potassium richterite: Rietveld structure
refinement and FTIR and micro-Raman spectroscopic studies of synthetic
amphiboles in the system K2O-Na2O-CaO-MgO-SiO2-TiO2-H2O-HF
Sample Rich59
Atomic parameters from ICSD
_database_code_amcsd 0001610
10.0613 18.0314 5.2963 90 104.896 90 C2/m
atom     x     y     z occ Biso
O1   .1134 .0887 .2197       .8
O2   .1164  .172  .724       .8
OH   .1072     0 .7188  .8   .8
F    .1072     0 .7188  .2   .8
O4   .3562  .248 .7931       .8
O5   .3357 .1288 .0945      1.1
O6   .3387 .1152 .5893      1.1
O7   .3296     0 .3115      1.2
Si1  .2766 .0853 .3035       .4
Si2  .2843 .1712 .8103 .86   .4
Ti   .2843 .1712 .8103 .14   .4
Mg1      0 .0891    .5       .6
Mg2      0 .1789     0       .6
Mg3      0     0     0       .6
Na       0 .2768    .5  .5   .9
Ca       0 .2768    .5  .5   .9
K    .0198    .5 .0538  .5  2.3
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Richterite
Download hom/richterite.pdf
Della Ventura G, Robert J-L, Beny J-M, Raudsepp M, Hawthorne F C
Download am/vol78/AM78_980.pdf
American Mineralogist 78 (1993) 980-987
The OH-F substitution in Ti-rich potassium richterite: Rietveld structure
refinement and FTIR and micro-Raman spectroscopic studies of synthetic
amphiboles in the system K2O-Na2O-CaO-MgO-SiO2-TiO2-H2O-HF
Sample Rich60
Atomic parameters from ICSD
_database_code_amcsd 0001611
10.0427 18.0254 5.2922 90 104.875 90 C2/m
atom     x     y     z occ Biso
O1   .1135 .0887 .2173       .8
O2   .1125   .17 .7254       .8
OH   .1044     0 .7149  .6   .8
F    .1044     0 .7149  .4   .8
O4   .3545 .2467 .7892       .8
O5   .3375 .1285 .0953      1.1
O6   .3375 .1158 .5893      1.1
O7   .3316     0 .3146      1.2
Si1   .278 .0857 .2982       .4
Si2  .2827 .1704 .8111 .88   .4
Ti   .2827 .1704 .8111 .12   .4
Mg1      0 .0906    .5       .6
Mg2      0 .1785     0       .6
Mg3      0     0     0       .6
Na       0 .2763    .5  .5   .9
Ca       0 .2763    .5  .5   .9
K    .0252    .5 .0503  .5  2.3
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Richterite
Download hom/richterite.pdf
Della Ventura G, Robert J-L, Beny J-M, Raudsepp M, Hawthorne F C
Download am/vol78/AM78_980.pdf
American Mineralogist 78 (1993) 980-987
The OH-F substitution in Ti-rich potassium richterite: Rietveld structure
refinement and FTIR and micro-Raman spectroscopic studies of synthetic
amphiboles in the system K2O-Na2O-CaO-MgO-SiO2-TiO2-H2O-HF
Sample Rich61
Atomic parameters from ICSD
_database_code_amcsd 0001612
10.0262 18.0194 5.2871 90 104.874 90 C2/m
atom     x     y     z occ Biso
O1   .1118 .0888  .213       .8
O2   .1153   .17 .7255       .8
OH    .104     0 .7163  .4   .8
F     .104     0 .7163  .6   .8
O4   .3546 .2472  .792       .8
O5   .3383 .1281 .0957      1.1
O6   .3383  .116 .5918      1.1
O7   .3326     0 .3105      1.2
Si1  .2772 .0856 .2999       .4
Si2  .2844 .1706 .8118  .9   .4
Ti   .2844 .1706 .8118  .1   .4
Mg1      0   .09    .5       .6
Mg2      0 .1789     0       .6
Mg3      0     0     0       .6
Na       0 .2762    .5  .5   .9
Ca       0 .2762    .5  .5   .9
K    .0263    .5 .0578  .5  2.3
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Richterite
Download hom/richterite.pdf
Della Ventura G, Robert J-L, Beny J-M, Raudsepp M, Hawthorne F C
Download am/vol78/AM78_980.pdf
American Mineralogist 78 (1993) 980-987
The OH-F substitution in Ti-rich potassium richterite: Rietveld structure
refinement and FTIR and micro-Raman spectroscopic studies of synthetic
amphiboles in the system K2O-Na2O-CaO-MgO-SiO2-TiO2-H2O-HF
Sample Rich62
Atomic parameters from ICSD
_database_code_amcsd 0001613
10.0166 18.0189 5.2871 90 104.908 90 C2/m
atom     x     y     z occ Biso
O1   .1104 .0886 .2162       .8
O2   .1168 .1697 .7248       .8
OH   .1025     0 .7164  .2   .8
F    .1025     0 .7164  .8   .8
O4   .3563  .247 .7933       .8
O5   .3361 .1294 .0948      1.1
O6   .3361 .1166 .5897      1.1
O7    .334     0 .3196      1.2
Si1  .2764 .0846 .2985       .4
Si2  .2815 .1704 .8102 .94   .4
Ti   .2815 .1704 .8102 .06   .4
Mg1      0 .0903    .5       .6
Mg2      0 .1796     0       .6
Mg3      0     0     0       .6
Na       0 .2757    .5  .5   .9
Ca       0 .2757    .5  .5   .9
K     .025    .5 .0576  .5  2.3
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Richterite
Download hom/richterite.pdf
Della Ventura G, Robert J-L, Beny J-M, Raudsepp M, Hawthorne F C
Download am/vol78/AM78_980.pdf
American Mineralogist 78 (1993) 980-987
The OH-F substitution in Ti-rich potassium richterite: Rietveld structure
refinement and FTIR and micro-Raman spectroscopic studies of synthetic
amphiboles in the system K2O-Na2O-CaO-MgO-SiO2-TiO2-H2O-HF
Sample Rich63
Atomic parameters from ICSD
_database_code_amcsd 0001614
10.0149 18.0099 5.2862 90 104.954 90 C2/m
atom     x     y     z occ Biso
O1   .1125 .0882 .2203       .8
O2   .1137 .1701 .7246       .8
F    .1001     0 .7177       .8
O3    .355 .2482 .7925       .8
O4   .3367 .1295  .092      1.1
O5   .3367 .1167 .5938      1.1
O6   .3329     0 .3141      1.2
Si1  .2787 .0852 .3036       .4
Si2  .2832 .1702 .8066 .96   .4
Ti   .2832 .1702 .8066 .04   .4
Mg1      0   .09    .5       .6
Mg2      0 .1796     0       .6
Mg3      0     0     0       .6
Na       0 .2765    .5  .5   .9
Ca       0 .2765    .5  .5   .9
K    .0233    .5 .0518  .5  2.3
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Richterite
Download hom/richterite.pdf
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D
Download am/vol82/AM82_291.pdf
American Mineralogist 82 (1997) 291-301
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure
refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite
Sample: Mg(100)
_database_code_amcsd 0001875
9.9076 17.988 5.2706 90 104.252 90 C2/m
atom     x     y     z  occ
Si1  .2808 .0853 .2977
Si2  .2847 .1697 .7973
Mg1      0 .0892    .5
Mg2      0 .1772     0
Mg3      0     0     0
Ca4      0 .2751    .5 .525
Na4      0 .2751    .5 .475
NaA      0 .4791     0  .95
O1   .1165 .0870 .2234
O2   .1079 .1695 .7169
O3   .1066     0 .7120
O4   .3538 .2493 .7796
O5   .3433 .1296 .0863
O6   .3389 .1122 .5966
O7   .3379     0 .3025
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Richterite
Download hom/richterite.pdf
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D
Download am/vol82/AM82_291.pdf
American Mineralogist 82 (1997) 291-301
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure
refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite
Sample: Ni20
_database_code_amcsd 0001876
9.9073 17.978 5.2669 90 104.303 90 C2/m
atom     x     y     z  occ
Si1  .2796 .0849 .2940
Si2  .2852 .1702 .8016
Mg1      0 .0889    .5  .77
Ni1      0 .0889    .5  .23
Mg2      0 .1767     0  .89
Ni2      0 .1767     0  .11
Mg3      0     0     0  .70
Ni3      0     0     0  .30
Ca4      0 .2757    .5 .545
Na4      0 .2757    .5 .455
Na       0 .4835     0  .91
O1   .1153 .0869 .2171
O2   .1110 .1698 .7233
O3   .1108     0 .7075
O4   .3579 .2480 .7778
O5   .3428 .1307 .0871
O6   .3364 .1134 .5925
O7   .3337     0 .2943
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View JMOL 3-D Structure (permalink)
 
Richterite
Download hom/richterite.pdf
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D
Download am/vol82/AM82_291.pdf
American Mineralogist 82 (1997) 291-301
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure
refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite
Sample: Ni40
_database_code_amcsd 0001877
9.9024 17.965 5.2603 90 104.361 90 C2/m
atom     x     y     z occ
Si1  .2863 .0857 .3002
Si2  .2815 .1681 .7954
Mg1      0 .0887    .5 .51
Ni1      0 .0887    .5 .49
Mg2      0 .1769     0 .73
Ni2      0 .1769     0 .27
Mg3      0     0     0 .48
Ni3      0     0     0 .52
Ca4      0 .2749    .5 .56
Na4      0 .2749    .5 .44
NaA      0 .4835     0 .88
O1   .1186 .0886 .2217
O2   .0992 .1698 .7145
O3   .1055     0 .7119
O4   .3533 .2486 .7747
O5   .3411 .1291 .0805
O6   .3407 .1111 .5987
O7   .3379     0 .2912
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Richterite
Download hom/richterite.pdf
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D
Download am/vol82/AM82_291.pdf
American Mineralogist 82 (1997) 291-301
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure
refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite
Sample: Ni60
_database_code_amcsd 0001878
9.8956 17.948 5.2567 90 104.413 90 C2/m
atom     x     y     z  occ
Si1  .2811 .0857 .2979
Si2  .2857 .1694 .7990
Mg1      0 .0885    .5  .30
Ni1      0 .0885    .5  .70
Mg2      0 .1777     0  .55
Ni2      0 .1777     0  .45
Mg3      0     0     0  .25
Ni3      0     0     0  .75
Ca4      0 .2745    .5 .535
Na4      0 .2745    .5 .465
NaA      0 .4812     0  .93
O1   .1132 .0875 .2211
O2   .1110 .1681 .7229
O3   .1066     0 .7067
O4   .3584 .2481 .7739
O5   .3455 .1300 .0914
O6   .3435 .1121 .5989
O7   .3415     0 .3070
Download AMC data (View Text File)
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Richterite
Download hom/richterite.pdf
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D
Download am/vol82/AM82_291.pdf
American Mineralogist 82 (1997) 291-301
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure
refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite
Sample: Ni80
_database_code_amcsd 0001879
9.8886 17.933 5.2525 90 104.461 90 C2/m
atom     x     y     z occ
Si1  .2790 .0847 .2941
Si2  .2886 .1696 .8039
Mg1      0 .0890    .5 .12
Ni1      0 .0890    .5 .88
Mg2      0 .1777     0 .32
Ni2      0 .1777     0 .68
Mg3      0     0     0 .13
Ni3      0     0     0 .87
Ca4      0 .2739    .5  .5
Na4      0 .2739    .5  .5
NaA      0 .4770     0
O1   .1106 .0872 .2138
O2   .1171 .1683 .7296
O3   .1055     0 .7129
O4   .3598 .2467 .7802
O5   .3459 .1305 .0911
O6   .3434 .1124 .5925
O7   .3430     0 .2980
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Richterite
Download hom/richterite.pdf
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D
Download am/vol82/AM82_291.pdf
American Mineralogist 82 (1997) 291-301
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure
refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite
Sample: Ni100
_database_code_amcsd 0001880
9.8927 17.926 5.2534 90 104.480 90 C2/m
atom     x     y     z occ
Si1  .2795 .0857 .2978
Si2  .2879 .1702 .8065
Ni1      0 .0882    .5
Ni2      0 .1768     0
Ni3      0     0     0
Ca4      0 .2741    .5 .51
Na4      0 .2741    .5 .49
NaA      0 .4783     0
O1   .1111 .0862 .2141
O2   .1152 .1689 .7272
O3   .1067     0 .7102
O4   .3581 .2476 .7772
O5   .3475 .1307 .1023
O6   .3400 .1122 .5999
O7   .3424     0 .3000
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Richterite
Download hom/richterite.pdf
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D
Download am/vol82/AM82_291.pdf
American Mineralogist 82 (1997) 291-301
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure
refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite
Sample: Co20
_database_code_amcsd 0001881
9.9180 17.999 5.2714 90 104.246 90 C2/m
atom     x     y     z occ
Si1  .2822 .0854 .2953
Si2  .2821 .1699 .7983
Mg1      0 .0893    .5 .77
Co1      0 .0893    .5 .23
Mg2      0 .1789     0 .80
Co2      0 .1789     0 .20
Mg3      0     0     0 .77
Co3      0     0     0 .23
Ca4      0 .2742    .5 .55
Na4      0 .2742    .5 .45
NaA      0 .4794     0 .91
O1   .1163 .0879 .2163
O2   .1057 .1703 .7226
O3   .1065     0 .7102
O4   .3554 .2474 .7775
O5   .3418 .1309 .0828
O6   .3402 .1132 .5915
O7   .3397     0 .3037
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Richterite
Download hom/richterite.pdf
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D
Download am/vol82/AM82_291.pdf
American Mineralogist 82 (1997) 291-301
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure
refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite
Sample: Co40
_database_code_amcsd 0001882
9.9312 18.015 5.2731 90 104.245 90 C2/m
atom     x     y     z occ
Si1  .2831 .0860 .2973
Si2  .2831 .1705 .7968
Mg1      0 .0891    .5 .54
Co1      0 .0891    .5 .46
Mg2      0 .1793     0 .62
Co2      0 .1793     0 .38
Mg3      0     0     0 .53
Co3      0     0     0 .47
Ca4      0 .2738    .5 .55
Na4      0 .2738    .5 .45
NaA      0 .4817     0 .88
O1   .1178 .0893 .2156
O2   .1089 .1699 .7221
O3   .1094     0 .7144
O4   .3584 .2469 .7862
O5   .3450 .1303 .0837
O6   .3408 .1143 .5910
O7   .3400     0 .2826
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Richterite
Download hom/richterite.pdf
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D
Download am/vol82/AM82_291.pdf
American Mineralogist 82 (1997) 291-301
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure
refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite
Sample: Co60
_database_code_amcsd 0001883
9.9436 18.029 5.2740 90 104.259 90 C2/m
atom     x     y     z occ
Si1  .2809 .0847 .2937
Si2  .2882 .1711 .8011
Mg1      0 .0897    .5 .37
Co1      0 .0897    .5 .63
Mg2      0 .1787     0 .44
Co2      0 .1787     0 .56
Mg3      0     0     0 .34
Co3      0     0     0 .66
Ca4      0 .2745    .5 .55
Na4      0 .2745    .5 .45
NaA      0 .4809     0 .93
O1   .1156 .0894 .2200
O2   .1146 .1731 .7252
O3   .1156     0 .7091
O4   .3627 .2472 .7740
O5   .3480 .1291 .0880
O6   .3424 .1136 .5946
O7   .3455     0 .3062
Download AMC data (View Text File)
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Richterite
Download hom/richterite.pdf
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D
Download am/vol82/AM82_291.pdf
American Mineralogist 82 (1997) 291-301
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure
refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite
Sample: Co80
_database_code_amcsd 0001884
9.9568 18.049 5.2742 90 104.413 90 C2/m
atom     x     y     z occ
Si1  .2835 .0841 .2896
Si2  .2866 .1692 .8041
Mg1      0 .0889    .5 .18
Co1      0 .0889    .5 .82
Mg2      0 .1802     0 .28
Co2      0 .1802     0 .72
Mg3      0     0     0 .21
Co3      0     0     0 .79
Ca4      0 .2740    .5  .5
Na4      0 .2740    .5  .5
NaA      0 .4805     0
O1   .1136 .0872 .2163
O2   .1157 .1722 .7300
O3   .1099     0 .7000
O4   .3573 .2454 .7735
O5   .3487 .1274 .0918
O6   .3449 .1134 .5883
O7   .3467     0 .3055
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Richterite
Download hom/richterite.pdf
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D
Download am/vol82/AM82_291.pdf
American Mineralogist 82 (1997) 291-301
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure
refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite
Sample: Co100
_database_code_amcsd 0001885
9.9724 18.069 5.2775 90 104.261 90 C2/m
atom     x     y     z occ
Si1  .2801 .0836 .2885
Si2  .2906 .1694 .8125
Co1      0 .0895    .5
Co2      0 .1797     0
Co3      0     0     0
Ca4      0 .2751    .5 .47
Na4      0 .2751    .5 .53
NaA      0 .4805     0
O1   .1121 .0876 .2174
O2   .1251 .1746 .7253
O3   .1145     0 .7019
O4   .3600 .2459 .7746
O5   .3508 .1290 .0945
O6   .3428 .1140 .5873
O7   .3463     0 .3104
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Richterite
Download hom/richterite.pdf
Hawthorne F C, Della Ventura G, Robert J-L, Welch M D, Jenkins D M
Download am/vol82/AM82_708.pdf
American Mineralogist 82 (1997) 708-716
A Rietveld and infrared study of synthetic amphiboles along the
potassium-richterite-tremolite join
Sample: Kr100
_database_code_amcsd 0001914
10.0547 17.997 5.2746 90 104.832 90 C2/m
atom     x     y     z occ
Si1  .2756 .0859 .3014
Si2  .2844 .1710 .8016
Mg1      0 .0900    .5
Mg2      0 .1791     0
Mg3      0     0     0
Ca4      0 .2761    .5  .5
Na4      0 .2761    .5  .5
KA   .0188    .5 .0306
O1   .1070 .0881 .2143
O2   .1148 .1714 .7184
O3   .1079     0 .7231
O4   .3554 .2484 .7866
O5   .3343 .1300 .0954
O6   .3402 .1159 .6018
O7   .3267     0 .3046
Download AMC data (View Text File)
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Richterite
Download hom/richterite.pdf
Hawthorne F C, Della Ventura G, Robert J-L, Welch M D, Jenkins D M
Download am/vol82/AM82_708.pdf
American Mineralogist 82 (1997) 708-716
A Rietveld and infrared study of synthetic amphiboles along the
potassium-richterite-tremolite join
Sample: Kr80
_database_code_amcsd 0001915
10.0209 18.001 5.2730 90 104.786 90 C2/m
atom     x     y     z occ
Si1  .2786 .0855 .3007
Si2  .2819 .1700 .8021
Mg1      0 .0900    .5
Mg2      0 .1791     0
Mg3      0     0     0
Ca4      0 .2749    .5  .6
Na4      0 .2749    .5  .4
KA    .015    .5  .029  .8
O1   .1116 .0885 .2177
O2   .1077 .1716 .7229
O3   .1073     0 .7160
O4   .3534 .2483 .7854
O5   .3364 .1296 .0904
O6   .3369 .1139 .5994
O7   .3321     0 .3122
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Richterite
Download hom/richterite.pdf
Hawthorne F C, Della Ventura G, Robert J-L, Welch M D, Jenkins D M
Download am/vol82/AM82_708.pdf
American Mineralogist 82 (1997) 708-716
A Rietveld and infrared study of synthetic amphiboles along the
potassium-richterite-tremolite join
Sample: Kr60
_database_code_amcsd 0001916
9.9884 18.016 5.2730 90 104.746 90 C2/m
atom     x     y     z occ
Si1  .2813 .0844 .2992
Si2  .2799 .1696 .7975
Mg1      0 .0884    .5
Mg2      0 .1788     0
Mg3      0     0     0
Ca4      0 .2755    .5  .7
Na4      0 .2755    .5  .3
KA    .013    .5  .037  .6
O1   .1160 .0891 .2260
O2   .0981 .1731 .7112
O3   .1065     0 .7131
O4   .3543 .2493 .7914
O5   .3370 .1300 .0889
O6   .3360 .1149 .5942
O7   .3323     0 .2995
Download AMC data (View Text File)
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Richterite
Download hom/richterite.pdf
Hawthorne F C, Della Ventura G, Robert J-L, Welch M D, Jenkins D M
Download am/vol82/AM82_708.pdf
American Mineralogist 82 (1997) 708-716
A Rietveld and infrared study of synthetic amphiboles along the
potassium-richterite-tremolite join
Sample: Kr40
_database_code_amcsd 0001917
9.9548 18.021 5.2735 90 104.724 90 C2/m
atom     x     y     z occ
Si1  .2784 .0847 .2986
Si2  .2839 .1701 .8008
Mg1      0 .0874    .5
Mg2      0 .1793     0
Mg3      0     0     0
Ca4      0 .2761    .5  .8
Na4      0 .2761    .5  .2
KA    .010    .5  .022  .2
O1   .1147 .0884 .2217
O2   .1041 .1703 .7185
O3   .1050     0 .7163
O4   .3529 .2493 .7801
O5   .3389 .1302 .0895
O6   .3366 .1150 .5980
O7   .3330     0 .3057
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Richterite
Download hom/richterite.pdf
Hawthorne F C, Della Ventura G, Robert J-L, Welch M D, Jenkins D M
Download am/vol82/AM82_708.pdf
American Mineralogist 82 (1997) 708-716
A Rietveld and infrared study of synthetic amphiboles along the
potassium-richterite-tremolite join
Sample: Kr20
Note, Kr0 sample from Smelik et al (1994) Am Min 79, 1110-1122
_database_code_amcsd 0001918
9.924 18.030 5.2749 90 104.67 90 C2/m
atom     x     y     z occ
Si1  .2787 .0849 .3016
Si2  .2833 .1697 .8017
Mg1      0 .0877    .5
Mg2      0 .1794     0
Mg3      0     0     0
Ca4      0 .2768    .5  .9
Na4      0 .2768    .5  .1
KA   -.005    .5 -.007  .2
O1   .1204 .0915 .2188
O2   .1078 .1697 .7199
O3   .1055     0 .7350
O4   .3580 .2500 .7860
O5   .3340 .1318 .0756
O6   .3409 .1166 .5923
O7   .3295     0 .2875
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Hellandite-(Ce)
 
Oberti R, Ottolini L, Camara F, Della Ventura G
Download am/vol84/AM84_913.pdf
American Mineralogist 84 (1999) 913-921
Crystal structure of non-metamict Th-rich hellandite-(Ce) from Latium (Italy)
and crystal chemistry of the hellandite-group minerals
_database_code_amcsd 0002237
19.068 4.745 10.289 90 111.18 90 P2/a
atom     x      y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
B1   .1735  .5271 .4518           .0004  .0049  .0013  .0001  .0003  .0000
B2   .2528  .4618 .1334           .0003  .0044  .0011  .0004  .0003  .0002
Si1  .1040  .4838 .6503           .0003  .0037  .0011  .0001  .0001 -.0001
Si2  .1130  .4980 .1622           .0003  .0065  .0012 -.0001  .0002  .0004
Al1      0      0     0 .83       .0005  .0071  .0020  .0000  .0003 -.0004
Fe1      0      0     0 .65       .0005  .0071  .0020  .0000  .0003 -.0004
Ti1      0      0     0 .41       .0005  .0071  .0020  .0000  .0003 -.0004
Mg1      0      0     0 .11       .0005  .0071  .0020  .0000  .0003 -.0004
Ca2  .0430  .0171 .3609 .70       .0005  .0066  .0017 -.0002  .0003 -.0003
Th2  .0430  .0171 .3609 .06       .0005  .0066  .0017 -.0002  .0003 -.0003
U2   .0430  .0171 .3609 .01       .0005  .0066  .0017 -.0002  .0003 -.0003
Y2   .0430  .0171 .3609 .02       .0005  .0066  .0017 -.0002  .0003 -.0003
La2  .0430  .0171 .3609 .05       .0005  .0066  .0017 -.0002  .0003 -.0003
Ce2  .0430  .0171 .3609 .11       .0005  .0066  .0017 -.0002  .0003 -.0003
Pr2  .0430  .0171 .3609 .01       .0005  .0066  .0017 -.0002  .0003 -.0003
Nd2  .0430  .0171 .3609 .04       .0005  .0066  .0017 -.0002  .0003 -.0003
Ca3  .2476  .0028 .6610 .70       .0007  .0061  .0016  .0000  .0004 -.0002
Th3  .2476  .0028 .6610 .06       .0007  .0061  .0016  .0000  .0004 -.0002
U3   .2476  .0028 .6610 .01       .0007  .0061  .0016  .0000  .0004 -.0002
Y3   .2476  .0028 .6610 .02       .0007  .0061  .0016  .0000  .0004 -.0002
La3  .2476  .0028 .6610 .05       .0007  .0061  .0016  .0000  .0004 -.0002
Ce3  .2476  .0028 .6610 .11       .0007  .0061  .0016  .0000  .0004 -.0002
Pr3  .2476  .0028 .6610 .01       .0007  .0061  .0016  .0000  .0004 -.0002
Nd3  .2476  .0028 .6610 .04       .0007  .0061  .0016  .0000  .0004 -.0002
Ca4  .1567 -.0333 .9312 .70       .0005  .0093  .0022  .0002  .0005  .0004
Th4  .1567 -.0333 .9312 .06       .0005  .0093  .0022  .0002  .0005  .0004
U4   .1567 -.0333 .9312 .01       .0005  .0093  .0022  .0002  .0005  .0004
Y4   .1567 -.0333 .9312 .02       .0005  .0093  .0022  .0002  .0005  .0004
La4  .1567 -.0333 .9312 .05       .0005  .0093  .0022  .0002  .0005  .0004
Ce4  .1567 -.0333 .9312 .11       .0005  .0093  .0022  .0002  .0005  .0004
Pr4  .1567 -.0333 .9312 .01       .0005  .0093  .0022  .0002  .0005  .0004
Nd4  .1567 -.0333 .9312 .04       .0005  .0093  .0022  .0002  .0005  .0004
Be   .0373  .5444 .8659 .37       .0010  .0091  .0031 -.0014  .0010 -.0004
Li   .0373  .5444 .8659 .12       .0010  .0091  .0031 -.0014  .0010 -.0004
H    .0434  .3712 .8889 .25 1.00
O1   .0440  .2445 .5675           .0004  .0075  .0017 -.0007  .0002 -.0006
O2   .1787  .3176 .7582           .0003  .0058  .0018  .0001  .0000 -.0002
O3   .0715 -.3033 .7365           .0006  .0131  .0037  .0008  .0004 -.0033
O4   .1330 -.3339 .5413           .0007  .0059  .0019 -.0001  .0006  .0003
O5   .0370  .1930 .8702 .75       .0007  .0100  .0028 -.0001  .0006 -.0001
F5   .0370  .1930 .8702 .25       .0007  .0100  .0028 -.0001  .0006 -.0001
O6   .2469 -.2427 .8585           .0005  .0045  .0018  .0001  .0003  .0003
O7   .1682  .2313 .4468           .0005  .0034  .0020 -.0003  .0003 -.0004
O8   .1334  .6717 .3092           .0007  .0074  .0016  .0005  .0001 -.0003
O9   .1863  .3251 .1583           .0005  .0076  .0027  .0002  .0006  .0013
O10  .0847  .7267 .0387           .0005  .0182  .0036  .0003  .0003  .0056
O11  .0515  .2578 .1568           .0008  .0206  .0020 -.0022  .0001  .0016
O12    .25  .3368     0           .0012  .0051  .0009      0  .0006      0
O13    .25  .6483    .5           .0003  .0037  .0028      0  .0002      0
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Fluorbritholite-(Ce)
 
Oberti R, Ottolini L, Della Ventura G, Parodi G C
Download am/vol86/AM86_1066.pdf
American Mineralogist 86 (2001) 1066-1075
On the symmetry and crystal chemistry of britholite:
New structural and microanalytical data
Sample: CAPR in volcanic ejectum from Capranica, Latium, Italy
_database_code_amcsd 0002669
9.547 9.547 6.991 90 90 120 P6_3
atom     x      y      z occ Biso
Si1  .3990  .3718  .2513 .93  .68
B1   .3990  .3718  .2513 .03  .68
P1   .3990  .3718  .2513 .04  .68
Ca1    1/3    2/3 -.0048 .49  .85
Y1     1/3    2/3 -.0048 .02  .85
La1    1/3    2/3 -.0048 .11  .85
Ce1    1/3    2/3 -.0048 .21  .85
Pr1    1/3    2/3 -.0048 .02  .85
Nd1    1/3    2/3 -.0048 .06  .85
Sm1    1/3    2/3 -.0048 .01  .85
Th1    1/3    2/3 -.0048 .07  .85
U1     1/3    2/3 -.0048 .01  .85
Ca1a   2/3    1/3  .0001 .49  .82
Y1a    2/3    1/3  .0001 .02  .82
La1a   2/3    1/3  .0001 .11  .82
Ce1a   2/3    1/3  .0001 .21  .82
Pr1a   2/3    1/3  .0001 .02  .82
Nd1a   2/3    1/3  .0001 .06  .82
Sm1a   2/3    1/3  .0001 .01  .82
Th1a   2/3    1/3  .0001 .07  .82
U1a    2/3    1/3  .0001 .01  .82
Ca2  .2378 -.0116    .25 .49  .87
Y2   .2378 -.0116    .25 .02  .87
La2  .2378 -.0116    .25 .11  .87
Ce2  .2378 -.0116    .25 .21  .87
Pr2  .2378 -.0116    .25 .02  .87
Nd2  .2378 -.0116    .25 .06  .87
Sm2  .2378 -.0116    .25 .01  .87
Th2  .2378 -.0116    .25 .07  .87
U2   .2378 -.0116    .25 .01  .87
O1   .3229  .4886  .2532     1.45
O2   .5940  .4695  .2569     1.78
O3   .3168  .2431  .4218     2.11
O3a  .3580  .2604  .0595     1.35
OH4      0      0  .2359 .12 5.38
F4       0      0  .2359 .88 5.38
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Fluorbritholite-(Ce)
 
Oberti R, Ottolini L, Della Ventura G, Parodi G C
Download am/vol86/AM86_1066.pdf
American Mineralogist 86 (2001) 1066-1075
On the symmetry and crystal chemistry of britholite:
New structural and microanalytical data
Sample: LOS from Rouma Island, Guinea
_database_code_amcsd 0002670
9.682 9.682 7.066 90 90 120 P6_3
atom     x      y      z occ Biso
Si1  .4007  .3728  .2564 .85  .68
P1   .4007  .3728  .2564 .13  .68
Na1    1/3    2/3 -.0039 .25  .85
Ca1    1/3    2/3 -.0039 .17  .85
La1    1/3    2/3 -.0039 .24  .85
Ce1    1/3    2/3 -.0039 .28  .85
Pr1    1/3    2/3 -.0039 .02  .85
Nd1    1/3    2/3 -.0039 .04  .85
Na1a   2/3    1/3  .0060 .25  .82
Ca1a   2/3    1/3  .0060 .17  .82
La1a   2/3    1/3  .0060 .24  .82
Ce1a   2/3    1/3  .0060 .28  .82
Pr1a   2/3    1/3  .0060 .02  .82
Nd1a   2/3    1/3  .0060 .04  .82
Ca2  .2364 -.0133    .25 .23  .87
La2  .2364 -.0133    .25 .33  .87
Ce2  .2364 -.0133    .25 .37  .87
Pr2  .2364 -.0133    .25 .02  .87
Nd2  .2364 -.0133    .25 .05  .87
O1   .3246  .4868  .2589     1.45
O2   .5929  .4693  .2539     1.78
O3   .3120  .2445  .4174     2.11
O3a  .3650  .2650  .0633     1.35
OH4      0      0  .1771 .12 5.38
F4       0      0  .2359 .88 5.38
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Mottanaite-(Ce)
 
Della Ventura G, Bonazzi P, Oberti R, Ottolini L
Download am/vol87/AM87_739.pdf
American Mineralogist 87 (2002) 739-744
Ciprianiite and mottanaite-(Ce), two new minerals
of the hellandite group from Latium (Italy)
_database_code_amcsd 0002818
19.032 4.746 10.248 90 110.97 90 P2/a
atom     x      y     z  occ Biso
B1   .1732  .5316 .4513       .56
B2   .2542  .4670 .1331       .44
Si1  .1039  .4834 .6508       .50
Si2  .1126  .4992 .1612       .55
BeT  .0393  .5424 .8668 .590  .92
LiT  .0393  .5424 .8668 .013  .92
AlM1     0      0     0 .497  .74
FeM1     0      0     0 .384  .74
TiM1     0      0     0 .070  .74
MgM1     0      0     0 .035  .74
CaM2 .0424  .0149 .3612 .186  .56
LaM2 .0424  .0149 .3612 .228  .56
CeM2 .0424  .0149 .3612 .386  .56
YM2  .0424  .0149 .3612 .003  .56
PrM2 .0424  .0149 .3612 .034  .56
NdM2 .0424  .0149 .3612 .071  .56
SmM2 .0424  .0149 .3612 .004  .56
EuM2 .0424  .0149 .3612 .001  .56
GdM2 .0424  .0149 .3612 .003  .56
ThM2 .0424  .0149 .3612 .076  .56
UM2  .0424  .0149 .3612 .008  .56
CaM3 .2471  .0032 .6614       .72
CaM4 .1570 -.0285 .9314       .85
O1   .0443  .2410 .5674       .73
O2   .1778  .3191 .7546       .70
O3   .0697 -.3100 .7410      1.52
O4   .1320 -.3296 .5416       .75
F5   .0367  .1967 .8716 .245 1.12
OH5  .0367  .1967 .8716 .272 1.12
O6   .2466 -.2416 .8582       .97
O7   .1666  .2332 .4443       .59
O8   .1324  .6756 .3071      1.05
O9   .1861  .3259 .1584       .85
O10  .0852  .7237 .0369      1.55
O11  .0506  .2608 .1566      1.69
O12    .25  .3369     0       .59
O13    .25  .6495    .5       .62
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Ciprianiite
 
Della Ventura G, Bonazzi P, Oberti R, Ottolini L
Download am/vol87/AM87_739.pdf
American Mineralogist 87 (2002) 739-744
Ciprianiite and mottanaite-(Ce), two new minerals
of the hellandite group from Latium (Italy)
_database_code_amcsd 0002819
19.059 4.729 10.291 90 111.33 90 P2/a
atom     x     y     z  occ Biso
B1   .1733 .5268 .4515       .75
B2   .2529 .4618 .1329       .71
Si1  .1039 .4849 .6501       .64
Si2  .1127 .4975 .1616       .71
BeT   .038  .535  .869 .409 1.41
LiT   .038  .535  .869 .019 1.41
AlM1     0     0     0 .479  .73
FeM1     0     0     0 .377  .73
TiM1     0     0     0 .097  .73
MgM1     0     0     0 .047  .73
MnM1     0     0     0 .016  .73
CaM2 .0429 .0175 .3598 .302  .66
LaM2 .0429 .0175 .3598 .045  .66
CeM2 .0429 .0175 .3598 .176  .66
YM2  .0429 .0175 .3598 .008  .66
PrM2 .0429 .0175 .3598 .027  .66
NdM2 .0429 .0175 .3598 .095  .66
SmM2 .0429 .0175 .3598 .010  .66
EuM2 .0429 .0175 .3598 .001  .66
GdM2 .0429 .0175 .3598 .004  .66
DyM2 .0429 .0175 .3598 .001  .66
ThM2 .0429 .0175 .3598 .314  .66
UM2  .0429 .0175 .3598 .017  .66
CaM3 .2476 .0017 .6611       .88
CaM4 .1564 .9652 .9312       .85
H      .04   .42   .90 .272  1.6
O1   .0444 .2441 .5673       .85
O2   .1786 .3179 .7584       .87
O3   .0715 .6991 .7351      1.32
O4   .1331 .6672 .5411       .94
F5   .0370 .1935 .8700 .245 1.13
Oh5  .0370 .1935 .8700 .272 1.13
O6   .2471 .7583 .8585       .82
O7   .1680 .2285 .4464       .80
O8   .1330 .6707 .3090      1.02
O9   .1864 .3260 .1581       .97
O10  .0847 .7297 .0395      1.31
O11  .0520 .2556 .1558      1.30
O12    .25 .3353     0       .91
O13    .25 .6481    .5       .84
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Na(NaMg)Mg5Si8O22(OH)2
 
Iezzi G, Della Ventura G, Oberti R, Camara F, Holtz F
Download am/vol89/AM89_640.pdf
American Mineralogist 89 (2004) 640-646
Synthesis and crystal-chemistry of Na(NaMg)Mg5Si8O22(OH)2, a P2_1/m amphibole
_database_code_amcsd 0003533
9.689 17.938 5.268 90 102.50 90 P2_1/m
atom       x     y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaA    .2654   .25 .0462     3.56  .0063  .0038  .0413      0  .0130      0
MgM1  -.2499 .3382 .4850      .65  .0022  .0004  .0064  .0000  .0011 -.0001
MgM2  -.2503 .4295 .9842      .66  .0021  .0004  .0070  .0000  .0013  .0002
MgM3  -.2494   .25 .9859      .62  .0023  .0004  .0053      0  .0011      0
NaM4  -.2461 .5054 .4840  .5  .84  .0026  .0006  .0091  .0001  .0028  .0005
MgM4  -.2461 .5054 .4840  .5  .84  .0026  .0006  .0091  .0001  .0028  .0005
SiT1A  .0324 .3355 .2619      .54  .0017  .0003  .0052  .0000  .0007  .0000
SiT1B  .5321 .8346 .2949      .52  .0017  .0004  .0047  .0000  .0009  .0001
SiT2A  .0408 .4214 .7677      .53  .0017  .0003  .0053 -.0001  .0007  .0000
SiT2B  .5439 .9195 .7989      .67  .0021  .0005  .0056 -.0003  .0006  .0001
O1A   -.1369 .3368 .1973      .58  .0017  .0003  .0069  .0002  .0011 -.0002
O1B    .3629 .8366 .2255      .57  .0021  .0004  .0047 -.0003  .0010  .0001
O2A   -.1302 .4217 .7018      .77  .0019  .0008  .0061  .0000  .0010 -.0003
O2B    .3734 .9219 .7355      .72  .0019  .0005  .0085 -.0001  .0014 -.0002
Oh3A  -.1394   .25 .6943      .68  .0021  .0005  .0064      0  .0008      0
Oh3B   .3577   3/4 .7221      .72  .0019  .0004  .0089      0  .0010      0
O4A    .1199 .4993 .7959     1.16  .0046  .0005  .0099 -.0007 -.0005 -.0002
O4B    .6258 .9938 .7658     1.80  .0060  .0008  .0159 -.0019 -.0034  .0021
O5A    .0969 .3674 .0237     1.00  .0025  .0009  .0092  .0002  .0015  .0012
O5B    .6002 .8854 .0969      .97  .0022  .0010  .0085  .0000  .0011  .0013
O6A    .0994 .3800 .5277     1.07  .0025  .0010  .0092  .0004  .0006 -.0018
O6B    .5934 .8578 .5964     1.07  .0022  .0011  .0087  .0001  .0006 -.0011
O7A    .0921   .25 .2998      .94  .0017  .0005  .0156      0  .0016      0
O7B    .5905   3/4 .2613      .83  .0023  .0002  .0139      0  .0021      0
H1     -.053   .25  .751     3.28
H2      .566   .25  .241     1.87
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NaNa2Mg5Si8O21(OH)3
 
Camara F, Oberti R, Della Ventura G, Welch M D, Maresch W V
Download am/vol89/AM89_1464.pdf
American Mineralogist 89 (2004) 1464-1473
The crystal structure of synthetic NaNa2Mg5Si8O21(OH)3, a triclinic C-1
amphibole with a triple-cell and H excess
Note: occupancies unreported, so calculated formula has an extra OH
_database_code_amcsd 0003648
9.883 54.082 5.277 90.045 103.068 89.960 C-1
atom        x       y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
NaM4    .0263  .09136  .5241     .0402  .0462  .0400  .0403 -.0094  .0220 -.0150
NaM41   .4663  .25874  .4552     .0176  .0170  .0198  .0125  .0007 -.0039  .0010
NaM42   .4738  .07400  .4547     .0412  .0787  .0265  .0288  .0169  .0338  .0123
NaA       1/2       0      0     .0869  .0510  .1497  .0712  .0226  .0376 -.0094
NaA1    .0214  .16632 1.0347     .0613  .0293  .1061  .0547 -.0126  .0224  .0017
MgM1    .0069  .02984  .5070     .0181  .0142  .0160  .0204 -.0001 -.0037  .0003
MgM2    .0121  .06009  .0054     .0178  .0157  .0136  .0234  .0041  .0030  .0024
MgM3        0       0      0     .0136  .0150  .0139  .0067  .0078 -.0083  .0004
MgM11   .5014  .19646  .4748     .0101  .0139  .0119  .0024  .0037 -.0027 -.0012
MgM12   .5082  .13723  .4792     .0115  .0150  .0128  .0070 -.0002  .0031  .0001
MgM21   .4926  .22672 -.0320     .0113  .0111  .0158  .0044 -.0027 -.0039  .0036
MgM22   .5028  .10656 -.0313     .0157  .0172  .0163  .0154 -.0015  .0080 -.0035
MgM31  -.4945  .16667 -.0216     .0090  .0118  .0111  .0029 -.0044 -.0007  .0007
SiT1A  -.2743  .02996  .7205     .0138  .0113  .0103  .0158 -.0027 -.0057  .0059
SiT2A   .7262  .05735  .2168     .0141  .0117  .0128  .0158 -.0038 -.0009 -.0004
SiT1B   .2840  .02651  .2948     .0124  .0091  .0091  .0144  .0013 -.0070 -.0009
SiT2B   .2984  .05545  .8031     .0125  .0088  .0106  .0145 -.0028 -.0052 -.0018
SiT1A1  .2237  .19411  .6891     .0103  .0154  .0091  .0045  .0025 -.0018 -.0044
SiT2A1  .2123  .22275  .1829     .0114  .0167  .0099  .0038  .0031 -.0059 -.0023
SiT1A2 -.2143  .13924  .2663     .0104  .0110  .0165  .0037 -.0012  .0015  .0054
SiT2A2 -.2025  .11051  .7792     .0123  .0155  .0127  .0079  .0018  .0011  .0047
SiT1B1  .7816  .19566  .2634     .0098  .0148  .0127  .0014  .0009  .0007  .0024
SiT2B1  .7146  .27655  .2307     .0153  .0286  .0083  .0082 -.0006  .0027  .0000
SiT1B2  .2290  .13774  .6939     .0106  .0082  .0132  .0095  .0015  .0003 -.0023
SiT2B2  .2236  .10980  .1892     .0103  .0083  .0156  .0082 -.0039  .0046 -.0011
O1A    -.1090  .02960  .7872     .0201
O1B     .1181  .02805  .2164     .0121
O1A1    .3905  .19478  .7611     .0126
O1A2   -.3788  .13801  .1910     .0095
O1B1    .6155  .19553  .1905     .0124
O1B2    .3936  .13737  .7613     .0125
O2A    -.1080  .05698  .2829     .0179
O2B     .1305  .05525  .7345     .0163
O2A1    .3795  .22200  .2510     .0111
O2A2    .6300  .10991  .6982     .0206
O2B1    .6184  .22413  .6972     .0139
O2B2    .3905  .11108  .2544     .0101
O3      .8951  .00054  .2896     .0169
O31     .4012  .16650  .2711     .0138
O32     .6131  .16695  .6867     .0149
O4A     .6528  .08412  .2152     .0114
O4B     .3777  .08035  .8034     .0164
O4A1    .3607  .25233 -.2083     .0237
O4A2   -.1258  .08489 -.2022     .0209
O4B1    .6389  .24954  .2020     .0222
O4B2    .1533  .08374  .2094     .0155
O5A     .6617  .04459  .9383     .0258
O5B     .3562  .04030  .0887     .0247
O5A1    .3458  .29010  .1121     .0081
O5A2   -.1463  .12711  .0404     .0067
O5B1   -.1526  .20763  .0352     .0142
O5B2    .1610  .12182  .8972     .0086
O6A     .6649  .04161  .4330     .0236
O6B     .3485  .03643  .5894     .0237
O6A1    .1616  .20230  .3912     .0087
O6A2   -.1508  .12565  .5402     .0211
O6B1    .6545  .29069  .4615     .0120
O6B2    .1669  .12881  .3937     .0171
O7      .3388 -.00203  .2863     .0130
O71     .1672  .16558  .7118     .0166
O72    -.1550  .16755  .2891     .0209
H       .8088  .00306  .2645     .0000
H1      .3002  .16791  .2525     .0447
H2      .7182  .16750  .7383     .0287
HB1      .700    .243   .380  .5
HA       .695    .095   .390  .5
HA2      .815    .075   .610  .5
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Na(NaMg)Mg5Si8O22(OH)2
 
Iezzi G, Gatta G D, Kockelmann W, Della Ventura G, Rinaldi R, Schafer W, Piccinini M, Gaillard F
 
American Mineralogist 90 (2004) 695-700
Low-T neutron powder-diffraction and synchrotron-radiation IR study of synthetic
amphibole Na(NaMg)Mg5Si8O22(OH)2
Sample: T = 298 K
_database_code_amcsd 0003767
9.71887 17.93853 5.26923 90 102.526 90 P2_1/m
atom       x      y       z occ   Uiso
NaA   .26338    .25  .07195 .83  .0389
MgA   .26338    .25  .07195 .07  .0389
Mg1  -.24026 .33930  .49828      .0111
Mg2  -.25348 .43071  .98116      .0111
Mg3  -.25237    .25  .97893      .0111
Mg4  -.25268 .50848  .48420 .37  .0111
Na4  -.25268 .50848  .48420 .31  .0111
Mg4' -.26475 .52501  .49913 .16  .0111
Na4' -.26475 .52501  .49913 .13  .0111
Si1A  .03422 .33480  .25975     .00243
Si1B  .53040 .83483  .29506     .00243
Si2A  .03285 .42143  .77063     .00243
Si2B  .54682 .91992  .80318     .00243
O1A  -.13689 .33642  .19974     .00545
O1B   .36433 .83681  .21721     .00545
O2A  -.13270 .42159  .70449     .00545
O2B   .37237 .92224  .74352     .00545
O3A  -.14897    .25  .69317     .00545
O3B   .35927    .75  .72024     .00545
O4A   .11586 .50067  .79981     .00545
O4B   .63000 .99316  .76836     .00545
O5A   .09732 .36704  .02195     .00545
O5B   .59913 .88482  .09577     .00545
O6A   .09833 .37993  .53135     .00545
O6B   .59665 .85784  .60458     .00545
O7A   .08949    .25  .30087     .00545
O7B   .58745    .75  .26427     .00545
H1   -.04703    .25  .75663 .71  .0389
D1   -.04703    .25  .75663 .29  .0389
H2    .53670    .25  .21170 .66  .0389
D2    .53670    .25  .21170 .34  .0389
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Na(NaMg)Mg5Si8O22(OH)2
 
Iezzi G, Gatta G D, Kockelmann W, Della Ventura G, Rinaldi R, Schafer W, Piccinini M, Gaillard F
 
American Mineralogist 90 (2004) 695-700
Low-T neutron powder-diffraction and synchrotron-radiation IR study of synthetic
amphibole Na(NaMg)Mg5Si8O22(OH)2
Sample: T = 8 K
_database_code_amcsd 0003768
9.70169 17.89537 5.25744 90 102.597 90 P2_1/m
atom       x      y       z occ   Uiso
NaA   .26461    .25  .06038 .83 .00688
MgA   .26461    .25  .06038 .07 .00688
Mg1  -.24280 .33860  .48952     .00688
Mg2  -.25451 .43158  .97520     .00688
Mg3  -.25442    .25  .95277     .00688
Mg4  -.24565 .50741  .48160 .37 .00688
Na4  -.24565 .50741  .48160 .31 .00688
Mg4' -.27291 .52696  .50151 .16 .00688
Na4' -.27291 .52696  .50151 .13 .00688
Si1A  .03609 .33535  .25812     .00328
Si1B  .53071 .83565  .30186     .00328
Si2A  .03892 .42099  .76004     .00328
Si2B  .54552 .91791  .80965     .00328
O1A  -.13735 .33691  .19646     .00357
O1B   .36675 .83608  .22068     .00357
O2A  -.13335 .42242  .70321     .00357
O2B   .37525 .91974  .74919     .00357
O3A  -.15111    .25  .70244     .00357
O3B   .35997    .75  .71712     .00357
O4A   .11908 .49933  .80839     .00357
O4B   .63160 .99345  .77154     .00357
O5A   .09694 .36393  .01295     .00357
O5B   .60373 .88605  .10438     .00357
O6A   .09837 .38166  .52814     .00357
O6B   .59421 .85628  .61049     .00357
O7A   .08616    .25  .30292     .00357
O7B   .58935    .75  .26556     .00357
H1   -.04591    .25  .75809 .71 .00688
D1   -.04591    .25  .75809 .29 .00688
H2    .53612    .25  .21111 .66 .00688
D2    .53612    .25  .21111 .34 .00688
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Parvo-mangano-edenite
 
Oberti R, Camara F, Della Ventura G, Iezzi G, Benimoff A I
Download am/vol91/AM91_526.pdf
American Mineralogist 91 (2006) 526-532
Parvo-mangano-edenite, parvo-manganotremolite, and the solid solution
between Ca and Mn2+ at the M4 site in amphiboles
Locality: Grenville marble, Arnold open pit, St Lawrence Co, New York, USA
Sample: 1103
Note: A and B occupancies invented to match formula
_database_code_amcsd 0004126
9.8260 18.0487 5.2840 90 104.55 90 C2/m
atom       x     y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaA        0    .5     0  .10  .89  .0022  .0009  .0060      0  .0001      0
NaAm    .043    .5  .103  .14 2.49  .0068  .0020  .0233      0  .0034      0
NaA2       0 .4724     0  .18 2.54  .0065  .0011  .0479      0  .0161      0
KA2        0 .4724     0  .01 2.54  .0065  .0011  .0479      0  .0161      0
CaM4B      0 .2736    .5 .605 1.32  .0028  .0014  .0126      0  .0034      0
MnM4B      0 .2736    .5 .348 1.32  .0028  .0014  .0126      0  .0034      0
CaM4'B     0 .2524    .5 .030 1.01
MnM4'B     0 .2524    .5 .017 1.01
MgM1       0 .0880    .5  .93  .53  .0016  .0003  .0065      0  .0007      0
Mn2+M1     0 .0880    .5  .06  .53  .0016  .0003  .0065      0  .0007      0
Fe2+M1     0 .0880    .5  .01  .53  .0016  .0003  .0065      0  .0007      0
MgM2       0 .1766     0 .895  .55  .0014  .0003  .0070      0  .0007      0
Mn2+M2     0 .1766     0 .075  .55  .0014  .0003  .0070      0  .0007      0
Fe3+M2     0 .1766     0 .015  .55  .0014  .0003  .0070      0  .0007      0
Ti4+M2     0 .1766     0 .005  .55  .0014  .0003  .0070      0  .0007      0
AlM2       0 .1766     0 .005  .55  .0014  .0003  .0070      0  .0007      0
Fe2+M2     0 .1766     0 .005  .55  .0014  .0003  .0070      0  .0007      0
MgM3       0     0     0  .86  .55  .0014  .0003  .0068      0  .0004      0
AlM3       0     0     0 .055  .55  .0014  .0003  .0068      0  .0004      0
Fe2+M3     0     0     0  .01  .55  .0014  .0003  .0068      0  .0004      0
Mn2+M3     0     0     0 .005  .55  .0014  .0003  .0068      0  .0004      0
SiT1   .2815 .0845 .2960  .77  .50  .0010  .0003  .0067 -.0001  .0002 -.0001
AlT1   .2815 .0845 .2960  .23  .50  .0010  .0003  .0067 -.0001  .0002 -.0001
SiT2   .2911 .1713 .8032       .51  .0011  .0003  .0066 -.0001  .0002  .0001
O1     .1105 .0860 .2175       .63  .0014  .0004  .0077      0  .0002      0
O2     .1206 .1723 .7252       .64  .0013  .0004  .0084      0  .0005  .0001
O3     .1091     0 .7156       .67  .0013  .0004  .0091      0  .0003      0
O4     .3688 .2478 .7827       .99  .0027  .0005  .0115 -.0005  .0001  .0002
O5     .3483 .1369 .1000      1.03  .0017  .0010  .0107      0  .0005  .0015
O6     .3449 .1153 .5967      1.08  .0016  .0010  .0124  .0002  .0007 -.0013
O7     .3410     0 .2749      1.06  .0021  .0006  .0161      0  .0009      0
H       .188     0  .759      1.36
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Parvo-manganotremolite
 
Oberti R, Camara F, Della Ventura G, Iezzi G, Benimoff A I
Download am/vol91/AM91_526.pdf
American Mineralogist 91 (2006) 526-532
Parvo-mangano-edenite, parvo-manganotremolite, and the solid solution
between Ca and Mn2+ at the M4 site in amphiboles
Locality: amphibole, Grenville marble, Arnold open pit, St Lawrence Co, New York, USA
Sample: 1104
Note: A and B occupancies invented to match formula
_database_code_amcsd 0004127
9.7807 18.0548 5.2928 90 104.19 90 C2/m
atom       x     y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaA        0    .5     0  .05 1.92
NaAm    .043    .5  .106 .105 3.37  .0092  .0022  .0463      0  .0146      0
KAm     .043    .5  .106 .005 3.37  .0092  .0022  .0463      0  .0146      0
NaA2       0 .4714     0  .09 2.32  .0054  .0011  .0451      0  .0156      0
CaM4B      0 .2713    .5 .565 1.42  .0028  .0017  .0112      0  .0029      0
MnM4B      0 .2713    .5 .415 1.42  .0028  .0017  .0112      0  .0029      0
NaM4B      0 .2713    .5  .02 1.42  .0028  .0017  .0112      0  .0029      0
MgM1       0 .0878    .5  .94  .59  .0017  .0004  .0059      0  .0005      0
Mn2+M1     0 .0878    .5  .06  .59  .0017  .0004  .0059      0  .0005      0
MgM2       0 .1767     0 .935  .62  .0017  .0004  .0065      0  .0005      0
Mn2+M2     0 .1767     0 .045  .62  .0017  .0004  .0065      0  .0005      0
Fe2+M2     0 .1767     0 .015  .62  .0017  .0004  .0065      0  .0005      0
Fe3+M2     0 .1767     0 .005  .62  .0017  .0004  .0065      0  .0005      0
MgM3       0     0     0  .46  .63  .0017  .0004  .0065      0  .0003      0
AlM3       0     0     0  .03  .63  .0017  .0004  .0065      0  .0003      0
SiT1   .2822 .0843 .2923  .88  .50  .0012  .0003  .0059 -.0001      0 -.0001
AlT1   .2822 .0843 .2923  .12  .50  .0012  .0003  .0059 -.0001      0 -.0001
SiT2   .2913 .1710 .7995       .55  .0013  .0004  .0056 -.0002      0  .0001
O1     .1115 .0859 .2165       .64  .0014  .0005  .0062      0 -.0001  .0001
O2     .1204 .1720 .7239       .69  .0016  .0005  .0076      0  .0006      0
O3     .1103     0 .7147       .65  .0016  .0004  .0075      0  .0002      0
O4     .3691 .2477 .7830      1.03  .0029  .0006  .0107 -.0005 -.0001  .0002
O5     .3482 .1349 .0930       .99  .0018  .0010  .0088      0  .0001  .0011
O6     .3455 .1169 .5880      1.02  .0017  .0010  .0100      0  .0002 -.0011
O7     .3407     0 .2783      1.02  .0020  .0004  .0161      0  .0004      0
H       .204     0  .768      2.06
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Parvo-mangano-edenite
 
Oberti R, Camara F, Della Ventura G, Iezzi G, Benimoff A I
Download am/vol91/AM91_526.pdf
American Mineralogist 91 (2006) 526-532
Parvo-mangano-edenite, parvo-manganotremolite, and the solid solution
between Ca and Mn2+ at the M4 site in amphiboles
Locality: Grenville marble, Arnold open pit, St Lawrence Co, New York, USA
Sample: 1079
Note: A and B occupancies invented to match formula
_database_code_amcsd 0004128
9.795 18.047 5.2869 90 104.28 90 C2/m
atom       x     y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaA        0    .5     0  .07 1.05  .0038  .0001  .0167      0  .0029      0
NaAm    .045    .5  .108 .145 3.26  .0108  .0022  .0325      0  .0084      0
NaA2       0 .4731     0  .14 3.17  .0089  .0013  .0582      0  .0205      0
KA2        0 .4731     0  .01 3.17  .0089  .0013  .0582      0  .0205      0
CaM4B      0 .2726    .5  .45 1.39  .0034  .0014  .0124      0  .0034      0
MnM4B      0 .2726    .5  .45 1.39  .0034  .0014  .0124      0  .0034      0
CaM4'B     0 .2583    .5  .05 1.22
MnM4'B     0 .2583    .5  .05 1.22
MgM1       0 .0879    .5  .94  .66  .0021  .0004  .0065      0  .0007      0
Mn2+M1     0 .0879    .5 .055  .66  .0021  .0004  .0065      0  .0007      0
Fe2+M1     0 .0879    .5 .005  .66  .0021  .0004  .0065      0  .0007      0
MgM2       0 .1767     0  .91  .59  .0018  .0003  .0068      0  .0006      0
Mn2+M2     0 .1767     0  .06  .59  .0018  .0003  .0068      0  .0006      0
Fe3+M2     0 .1767     0  .01  .59  .0018  .0003  .0068      0  .0006      0
AlM2       0 .1767     0  .01  .59  .0018  .0003  .0068      0  .0006      0
Ti4+M2     0 .1767     0 .005  .59  .0018  .0003  .0068      0  .0006      0
Fe2+M2     0 .1767     0 .005  .59  .0018  .0003  .0068      0  .0006      0
MgM3       0     0     0  .86  .63  .0020  .0003  .0070      0  .0005      0
AlM3       0     0     0  .10  .63  .0020  .0003  .0070      0  .0005      0
Mn2+M3     0     0     0  .04  .63  .0020  .0003  .0070      0  .0005      0
SiT1   .2819 .0844 .2938  .84  .53  .0016  .0002  .0065 -.0001  .0002 -.0001
AlT1   .2819 .0844 .2938  .16  .53  .0016  .0002  .0065 -.0001  .0002 -.0001
SiT2   .2914 .1711 .8008       .58  .0016  .0003  .0067 -.0001  .0001  .0001
O1     .1111 .0860 .2175       .68  .0018  .0004  .0078      0  .0003  .0001
O2     .1209 .1722 .7248       .70  .0018  .0004  .0085  .0001  .0005  .0001
O3     .1097     0 .7146       .71  .0017  .0004  .0088      0  .0003      0
O4     .3692 .2476 .7824      1.04  .0031  .0005  .0115  .0005      0  .0003
O5     .3485 .1356 .0952      1.12  .0021  .0010  .0114      0  .0003  .0015
O6     .3454 .1161 .5919      1.15  .0022  .0010  .0119  .0002  .0002 -.0015
O7     .3411     0 .2767      1.09  .0026  .0005  .0149      0  .0006      0
H       .203     0  .767      1.01
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Vishnevite
Download hom/vishnevite.pdf
Della Ventura G, Bellatreccia F, Parodi G C, Camara F, Piccinini M
Download am/vol92/AM92_713.pdf
American Mineralogist 92 (2007) 713-721
Single-crystal FTIR and X-ray study of vishnevite, ideally
[Na6(SO4)][Na2(H2O)2](Si6Al6O24)
Locality: Latium, Italy
Sample: Pi4
_database_code_amcsd 0004320
12.7228 12.7228 5.1980 90 90 120 P6_3
atom     x     y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1    2/3   1/3 .1333 .83 .034   .019   .019   .064   .010      0      0
Na2  .1141 .2258 .2940 .35 .024   .017   .039   .023   .020  -.004  -.005
K    .1458 .2894 .2893 .43 .042   .038   .065   .032   .034  -.003  -.006
Al   .3384 .4144 .7570     .009   .009   .010   .008   .006   .000   .001
Si   .0834 .4134 .7562     .008   .008   .009   .008   .005   .000   .001
S        0     0 .2918 .29 .045   .040   .040   .057   .020      0      0
O1   .2019 .4044 .6799     .017   .010   .026   .018   .011   .002   .000
O2   .1192 .5535 .7332     .023   .022   .014   .035   .011   .006   .004
O3   .0386 .3599 .0419     .018   .014   .027   .011   .011   .002   .004
O4   .3279 .3527 .0597     .017   .021   .024   .011   .015  -.001   .005
O51  .0615 .1133 .6725 .22 .150
O52  .0496 .1090 .9541 .25 .139
O6   .6184 .3043 .6893 .33 .062
O7       0     0 .0737 .22 .068
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Kircherite
 
Camara F, Bellatreccia F, Della Ventura G, Gunter M E, Sebastiani M, Cavallo A
 
American Mineralogist 97 (2012) 1494-1504
Kircherite, a new mineral of the cancrinite-sodalite group with a 36-layer
stacking sequence: Occurrence and crystal structure
Locality: Valle Biachella, Sacrofano community (Rome, Latium, Italy)
_database_code_amcsd 0019258
12.8770 12.8770 95.244 90 90 120 R32
atom       x       y       z   occ  Uiso
K1    .21935  .78244 .026734       .0316
Na1        0       0       0       .0620
Na2A       0  .49632       0  .616 .0281
Ca2B       0  .49632       0  .384 .0281
Ca3      2/3     1/3 .035016 1.009 .0283
Na4A   .4865  .97775 .055175  .771 .0383
Ca4B   .4865  .97775 .055175  .229 .0383
Na5A       0       0  .06575  .720  .051
Ca5B       0       0  .05922  .280  .051
Na6A   .3399   .1714  .08322  .644 .0451
K6B    .4289   .2173  .07941  .249 .0451
Na6B   .2762   .1439  .08739  .193 .0451
Na7A     1/3     2/3  .08904   .05 .0354
Ca7B     1/3     2/3  .08904   .95 .0354
Na8A     2/3     1/3  .10234  .452  .055
Na8B     2/3     1/3   .1135   .08  .055
Na8C     2/3     1/3  .12063   .68  .055
K9A    .1242   .2467  .10791  .236 .0544
Na9A   .1591   .3183  .11131  .630 .0544
Na9B   .2035   .4025  .11546  .203 .0544
Na1C       0       0  .13014   .53  .065
Na1D       0       0   .1396   .18  .065
Na1E       0       0  .14781   .50  .065
Na1F   .4939   .9927  .13870   .23  .016
K1G    .4686    .930  .13597  .411  .117
Na1G   .5223  1.0488   .1413  .367  .117
Na1K     1/3     2/3  .15719  .516  .044
K1L    .2474   .1287  .17056  .210 .0575
Na1L     1/3   .1667     1/6  .580 .0575
Si1   .25209       0       0       .0153
Si2   .92141  .58468 .028745       .0138
Si3   .25017 -.00038 .056598       .0153
Si4   .33285  .41471 .084480       .0165
Si5   .41674  .08479 .112132       .0176
Si6   .24895  .24891 .139370       .0180
Si7      1/3  .91414     1/6       .0189
Al1        0  .74422       0       .0150
Al2   .40708  .08485 .028747       .0155
Al3   .25229  .25532 .056187       .0151
Al4   .33367  .91923 .084777       .0184
Al5   .41672  .33299 .111910       .0179
Al6   .24778 -.00033 .139511       .0206
Al7   .58118  .91451     1/6       .0189
O1     .1218   .8853  .00247       .0257
O2     .3374   .0159  .01327       .0216
O3     .9782   .6459  .01398       .0265
O4     .7830   .5489  .03041       .0241
O5     .5400   .0786  .02974       .0273
O6     .0006   .6698  .04121       .0293
O7     .3192  -.0016  .04249       .0270
O8     .1132   .8975  .05576       .0284
O9     .2539   .1258  .05938       .0286
O10    .3256   .9846  .06921       .0336
O11    .3276   .3547  .06976       .0379
O12    .4495   .8905  .08400       .0354
O13    .2192   .4260  .08817       .0368
O14    .3496   .3371  .09634       .0413
O15    .3505   .0155  .09803       .0561
O16    .4517   .2220  .11056       .0530
O17    .5372   .0802  .11528       .0554
O18    .3335   .0189  .12516        .077
O19    .3153   .3075  .12514       .0612
O20    .1171   .2216  .13723       .0691
O21    .2402   .1267  .14278       .0774
O22    .6607   .9789  .15169        .086
O23    .3132   .9767  .15362        .088
O24    .4455   .8978  .16380        .093
Wat25      0       0  .02844   .94  .148
S1       1/3     2/3  .00351       .0270
O1SA     2/3     1/3  .01182       .0530
O1SB   .2093   .6027  .00861       .0464
S2       1/3     2/3  .05032       .0313
O2SA     1/3     2/3  .06586       .0553
O2SB   .2101   .6033  .04503       .0553
S3     .6293   .2982  .06703  .307 .0616
O3SA   .5436   .2755  .07575  .158 .0553
O3SB   .6010   .2033  .05750  .142 .0553
S4     -.005  -.0256  .09660  .300  .088
O4SA   .0632  -.0619   .1048  .169 .0553
O4SB  -.0589  -.1188   .0872  .135 .0553
S5     .3110   .6776  .12342  .229 .0473
O5SA    .394   .7873   .1326  .151 .0553
O5SB   .2726   .7297   .1137  .119 .0553
S6     .7000   .3668  .15261   .94  .060
O6SA   .7945   .3943   .1438  .307 .0553
O6SB   .7271   .4598   .1613  .158 .0553
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Winchite
Download hom/winchite.pdf
Jenkins D M, Della Ventura G, Oberti R, Bozhilov K
 
American Mineralogist 98 (2013) 588-600
Synthesis and characterization of amphiboles along the tremolite-glaucophane join
Note: Sample WIN 9-1
Locality: synthetic
_database_code_amcsd 0020107
9.8076 18.0004 5.2804 90 104.575 90 C2/m
atom      x      y      z  occ Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3) B(2,3)
NaA2      0 .47927      0  .09 3.20
MgM4      0 .27719 .50000  .08 1.08  .0035  .0009  .0101       0  .0036      0
CaM4      0 .27719 .50000  .71 1.08  .0035  .0009  .0101       0  .0036      0
NaM4      0 .27719 .50000  .21 1.08  .0035  .0009  .0101       0  .0036      0
AlM1      0 .08826 .50000 .084  .78  .0024  .0006  .0066       0  .0013      0
MgM1      0 .08826 .50000 .916  .78  .0024  .0006  .0066       0  .0013      0
AlM2      0 .17748      0 .084  .84  .0024  .0008  .0072       0  .0018      0
MgM2      0 .17748      0 .916  .84  .0024  .0008  .0072       0  .0018      0
AlM3      0      0      0 .084  .83  .0028  .0005  .0081       0  .0014      0
MgM3      0      0      0 .916  .83  .0028  .0005  .0081       0  .0014      0
SiT1 .28068 .08468 .29671 .978  .71  .0020  .0006  .0064 -.00002  .0013 -.0001
AlT1 .28068 .08468 .29671 .022  .71  .0020  .0006  .0064 -.00002  .0013 -.0001
SiT2 .28869 .17169 .80393 .978  .82  .0024  .0007  .0070 -.00016  .0011      0
AlT2 .28869 .17169 .80393 .022  .82  .0024  .0007  .0070 -.00016  .0011      0
H    .20284      0 .76357      1.89
O1   .11079 .08660 .21658       .88  .0020  .0008  .0080 -.00012  .0010 -.0001
O2   .11901 .17091 .72730       .97  .0029  .0009  .0079  .00019  .0020  .0002
O3   .10967      0 .71368      1.12  .0027  .0009  .0117       0  .0012      0
O4   .36549 .24850 .79236      1.24  .0042  .0009  .0103 -.00020  .0023 -.0001
O5   .34739 .13453 .09805      1.15  .0029  .0011  .0092      01  .0012  .0008
O6   .34379 .11802 .58993      1.05  .0030  .0009  .0086  .00016  .0015 -.0007
O7   .33697      0 .28829      1.14  .0036  .0004  .0145       0  .0011      0
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Winchite
Download hom/winchite.pdf
Jenkins D M, Della Ventura G, Oberti R, Bozhilov K
 
American Mineralogist 98 (2013) 588-600
Synthesis and characterization of amphiboles along the tremolite-glaucophane join
Note: Sample WIN 4-2
Locality: synthetic
_database_code_amcsd 0020108
9.7739 17.9636 5.2659 90 104.423 90 C2/m
atom      x      y      z  occ Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3) B(2,3)
NaA       0 .50000      0  .28 6.17
MgM4      0 .27693 .50000 .105  .95  .0037  .0008  .0078       0  .0040      0
CaM4      0 .27693 .50000  .71  .95  .0037  .0008  .0078       0  .0040      0
NaM4      0 .27693 .50000 .185  .95  .0037  .0008  .0078       0  .0040      0
AlM1      0 .08830 .50000 .066  .57  .0026  .0004  .0024       0  .0012      0
MgM1      0 .08830 .50000 .934  .57  .0026  .0004  .0024       0  .0012      0
AlM2      0 .17747      0 .066  .65  .0022  .0005  .0053       0  .0011      0
MgM2      0 .17747      0 .934  .65  .0022  .0005  .0053       0  .0011      0
AlM3      0      0      0 .066  .63  .0027  .0003  .0046       0  .0009      0
MgM3      0      0      0 .934  .63  .0027  .0003  .0046       0  .0009      0
SiT1 .28063 .08459 .29511 .964  .46  .0018  .0004  .0029       0  .0009 -.0001
AlT1 .28063 .08459 .29511 .036  .46  .0018  .0004  .0029       0  .0009 -.0001
SiT2 .28941 .17146 .80351 .964  .49  .0020  .0004  .0025  -.0001  .0008  .0001
AlT2 .28941 .17146 .80351 .036  .49  .0020  .0004  .0025  -.0001  .0008  .0001
H    .19245      0 .74231      1.31
O1   .11062 .08673 .21645       .65  .0021  .0007  .0034  -.0001  .0008  .0001
O2   .11904 .17120 .72635       .72  .0019  .0006  .0063   .0002  .0009  .0001
O3   .10974      0 .71485       .76  .0021  .0007  .0059       0  .0014      0
O4   .36571 .24868 .79115       .94  .0037  .0005  .0088  -.0004  .0023 -.0001
O5   .34784 .13441 .09800       .94  .0032  .0009  .0057   .0001  .0015  .0010
O6   .34347 .11794 .58877       .86  .0027  .0010  .0034   .0001  .0009 -.0010
O7   .33775      0 .28706       .96  .0029  .0005  .0129       0  .0024      0
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Fantappieite
 
Camara F, Bellatreccia F, Della Ventura G, Mottana A, Bindi L,
Gunter M E, Sebastiani M
Download am/vol95/AM95_472.pdf
American Mineralogist 95 (2010) 472-480
Fantappieite, a new mineral of the cancrinite-sodalite group
with a 33-layer stacking sequence: Occurrence and crystal structure
Locality: Torre Stracciacappe, Trevignano community, Rome, Latium, Italy
_database_code_amcsd 0005034
12.8742 12.8742 87.215 90 90 120 P-3
atom       x      y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1A   .1579  .3008 .0127  .5 .047
Na1B   .1935  .3875 .0172 .27 .047
Ca1B   .1935  .3875 .0172 .23 .047
Na2      2/3    1/3 .0207 .41 .016
Na3A       0      0  .038 .69 .012
Ca3A       0      0  .038 .13 .012
Ca3B       0      0 .0565 .19 .012
Na4A   .5038 -.0010 .0433 .53 .017
Na4B   .5337  .0671 .0486 .34 .017
Na5A   .3722  .1848 .0727  .5 .067
Ca5B   .2909  .1454 .0781  .5 .067
Na6      2/3    1/3 .0976 .38 .016
Na7      2/3    1/3 .1643 .39 .016
Na8      2/3    1/3 .2355 .86 .036
Na9A    .449   .543 .2528 .16 .027
Na9B    .491   .509 .2552 .72 .027
Na10     1/3    2/3 .2777 .45 .052
Ca11     1/3    2/3 .2988 .53 .052
Na12   .3894  .1987 .2861 .41 .002
Na13   .3234  .1567 .2899 .34 .002
Na14     2/3    1/3 .3071 .49 .051
Na15     2/3    1/3 .3265 .49 .051
Na16   .1322  .2691 .3163 .10 .002
K16    .1322  .2691 .3163 .40 .002
Na17   .1718   .342 .3163  .5 .002
Na18       0      0 .3442 .87 .036
K18        0      0 .3442 .13 .036
Na19    .508  .0253 .3513 .82 .042
Na20     1/3    2/3 .3641 .65 .037
Na21   .2804  .1422 .3797 .91 .063
Na22    .162  .3226 .4071 .31 .061
Ca22    .162  .3226 .4071 .29 .061
Na23   .2067  .3952 .4136 .40 .061
Na24       0      0 .4325 .82 .093
Na25      .5     .5    .5 .95 .036
Na26       0      0    .5 .75 .028
Ca1      1/3    2/3 .0692     .059   .054   .054   .067   .027      0      0
Ca2    .1841  .3559 .1052 .66 .048   .047   .046   .047   .020  -.004   .001
Na2    .1841  .3559 .1052 .34 .048   .047   .046   .047   .020  -.004   .001
Ca3        0      0 .1292     .025   .024   .024   .026   .012      0      0
Ca4     .165  .3359 .1659 .38 .029   .026   .026   .034   .011   .001   .000
Na4     .165  .3359 .1659 .62 .029   .026   .026   .034   .011   .001   .000
Ca5      1/3    2/3 .2047     .003   .030   .030   .032   .015      0      0
Ca6      .16  .3086 .2256 .16 .034   .038   .038   .032   .023  -.003  -.002
Na6      .16  .3086 .2256 .84 .034   .038   .038   .032   .023  -.003  -.002
Ca7        0      0 .2637     .049   .044   .044   .057   .022      0      0
Ca8      1/3    2/3 .3867 .94 .053   .046   .046   .067   .023      0      0
Ca9      2/3    1/3 .4032     .024   .024   .024   .025   .012      0      0
Ca10   .5132  .0217   .44 .05 .022   .022   .025   .021   .012   .005  -.001
Na10   .5132  .0217   .44 .95 .022   .022   .025   .021   .012   .005  -.001
Ca11     1/3    2/3 .4607     .023   .025   .025   .019   .012      0      0
K1     .4474    .55 .1377  .5 .033   .039   .037   .027   .023  -.005  -.001
Na1    .4474    .55 .1377  .5 .033   .039   .037   .027   .023  -.005  -.001
K2     .2322  .1168 .1959 .54 .011   .010   .015   .007    .05  -.002  -.001
Na2    .2322  .1168 .1959 .46 .011   .010   .015   .007    .05  -.002  -.001
K3     .4373  .2182 .4705 .98 .022   .023   .023   .020   .010  -.003   .000
Na3    .4373  .2182 .4705 .02 .022   .023   .023   .020   .010  -.003   .000
AlT1   .4213  .3291 .0139     .007   .007   .007   .007   .003   .000   .000
AlT2   .2503  .0027 .0445     .021   .021   .021   .021   .010   .000   .000
AlT3     1/3  .4133 .0733     .011   .011   .010   .011   .005   .000   .000
AlT4   .4142  .0861 .1055     .009   .010   .010   .009   .005   .000   .001
AlT5   .2588  .2546 .1349     .024   .024   .024   .024   .012   .000   .001
AlT6    .415  .0774 .1664     .005   .005   .006   .004   .002  -.001   .000
AlT7   .3337  .4124 .1973     .025   .025   .025   .026   .013  -.001   .000
AlT8   .4094  .0825 .2271     .023   .022   .023   .023   .011   .000   .000
AlT9   .2529  .2509 .2584     .008   .009   .008   .008   .004   .000   .000
AlT10  .0867  .4194 .2897     .024   .023   .024   .023   .011   .001   .001
AlT11  .4205  .3328  .318     .039   .039   .039   .038   .019   .000   .000
AlT12 -.0016  .2512 .3489     .002   .021   .020   .021   .011   .000   .000
AlT13  .3288  .4134 .3781     .048   .048   .048   .048   .024   .000   .000
AlT14  .4167  .0828 .4079     .019   .019   .019   .019   .009   .000   .000
AlT15  .2536  .2556 .4382     .022   .022   .021   .021   .010   .000   .001
AlT16   .078  .4085 .4686     .014   .016   .013   .011   .006   .000   .000
SiT17  .4214  .0875 .0148     .002   .020   .019   .020   .010   .000  -.001
SiT18  .2509  .2502 .0449     .024   .024   .024   .024   .012   .000   .000
SiT19  .0785  .4103 .0739     .016   .016   .016   .016   .009   .000  -.001
SiT20  .4163  .3352 .1048     .033   .034   .035   .030   .019  -.002  -.003
SiT21  .2596  .0097 .1352     .025   .026   .025   .025   .013   .000   .000
SiT22  .4161  .3410 .1663     .013   .013   .013   .012   .007   .000   .000
SiT23  .5839  .6599 .1981     .002   .019   .020   .020   .010   .000   .001
SiT24  .4128  .3303 .2273     .018   .018   .019   .019   .009   .001   .000
SiT25 -.0020  .2499 .2583     .027   .027   .027   .027   .014   .000  -.001
SiT26  .3353  .4221 .2887     .031   .031   .032   .031   .015  -.001   .002
SiT27  .4162   .086 .3189     .051   .050   .051   .050   .025   .000   .000
SiT28  .2485  .2477 .3478     .019   .019   .019   .019   .010  -.001   .000
SiT29  .0803  .4151 .3785     .058   .058   .058   .058   .029   .000   .000
SiT30  .6691  .0777 .4073     .013   .012   .013   .013   .006   .000   .001
SiT31  .2571  .0094 .4389     .035   .035   .035   .035   .018   .000   .000
SiT32  .3316  .4118 .4681     .018   .019   .018   .018   .009  -.001   .001
SiT33  .2545  .2571 .4999     .031   .028   .031   .034   .015   .003   .001
O1     .0115  .3484 .0005     .083   .083   .083   .083   .041   .000   .000
O2     .4478   .227 .0127     .039   .039   .039   .039   .020  -.001   .000
O3     .5522  .1052 .0176     .027   .027   .027   .027   .013   .000   .000
O4     .3383  .0064 .0303     .039   .039   .039   .039   .019   .000   .000
O5     .3295  .3069 .0293     .072   .072   .072   .072   .036   .000   .000
O6     .1261  .2473 .0425     .047   .047   .047   .047   .024   .000   .000
O7     .2176  .1065  .046     .014   .014   .014   .015   .007   .000   .000
O8     .3278  .0054 .0604     .031   .031   .031   .031   .015   .001  -.001
O9     .3246   .321 .0607     .023   .023   .023   .023   .012   .000   .000
O10    .4599  .5524 .0701     .034   .034   .035   .034   .017   .000   .000
O11    .2174  .4346 .0732     .058   .058   .058   .058   .029   .000   .000
O12    .0146  .3526 .0898     .028   .028   .027   .028   .014   .000  -.001
O13    .3396  .3536 .0901     .062   .062   .062   .062   .031   .000   .000
O14    .4286  .2096 .1022     .023   .023   .023   .023   .011   .000   .000
O15    .5682  .1257 .1057     .045   .045   .045   .045   .023   .000   .000
O16    .3379  .3447 .1197     .046   .046   .046   .046   .023   .000   .000
O17    .0027  .3406 .1215     .042   .042   .042   .042   .021   .000   .000
O18    .1205   .242 .1327     .054   .054   .054   .054   .027   .000   .000
O19    .2036  .0985 .1329     .049   .049   .049   .049   .025   .000   .000
O20     .323  .3149 .1504     .035   .035   .035   .035   .017   .000  -.001
O21    .3381   .023 .1514     .018   .018   .018   .019   .009   .000   .000
O22    .5535  .4539 .1611     .043   .043   .043   .043   .022   .000   .000
O23    .4349  .2201 .1685     .043   .043   .044   .043   .022   .000   .000
O24    .0149  .3526 .1808     .026   .026   .026   .026   .013   .000  -.001
O25     .328  .3435 .1815     .028   .028   .028   .028   .014   .000   .000
O26    .4456  .5661 .1983     .021   .021   .021   .021   .010   .000   .000
O27    .2053  .4015 .1993     .076   .076   .076   .076   .038   .000   .000
O28    .3507  .3311  .211     .009   .009   .009   .008   .004   .000   .000
O29    .3571  .0126 .2122     .042   .042   .042   .042   .021   .000   .000
O30    .4536  .2247 .2279     .055   .055   .055   .055   .028   .000   .000
O31    .5401  .4628 .2318     .046   .046   .046   .046   .023   .000   .000
O32    .3232  .0119 .2413     .035   .035   .035   .035   .018   .001   .000
O33    .3255  .3203 .2423     .003   .030   .030   .029   .015   .001  -.001
O34    .1183  .2274 .2579     .003   .031   .030   .030   .015   .000   .000
O35    .2437  .1174 .2626     .023   .023   .023   .022   .011   .000   .000
O36     .022  .3569  .273     .014   .014   .014   .014   .007   .000   .000
O37    .3242  .3474 .2737     .066   .066   .066   .066   .033   .001   .000
O38    .1302  .5614 .2864     .038   .038   .038   .038   .019   .000   .000
O39    .2053  .4164 .2912     .017   .017   .017   .017   .009   .000   .000
O40     .352  .0166 .3024     .013   .013   .013   .013   .007   .000  -.001
O41    .3539  .3496 .3013     .082   .082   .082   .082   .041   .000   .000
O42    .4646  .2303 .3192     .044   .044   .044   .044   .022   .000   .000
O43    .5448  .0864 .3229     .066   .065   .066   .066   .033   .000   .000
O44     .344  .0327  .334     .067   .068   .067   .067   .034   .000   .000
O45    .3444  .3192 .3345     .025   .025   .025   .025   .013   .000   .000
O46    .1184  .2258 .3435     .063   .063   .063   .063   .031   .000   .000
O47    .2242  .1094 .3518     .018   .018   .018   .018   .009   .000   .000
O48     .305  .3297 .3637     .063   .063   .063   .063   .032   .000   .000
O49    .0225  .3332 .3647     .028   .028   .028   .028   .014   .000   .000
O50    .0721  .5316 .3749     .019   .019   .020   .020   .010   .000   .000
O51    .2246  .4412 .3802     .047   .047   .047   .047   .024   .001   .000
O52    .0099  .3431 .3944     .001   .010   .010   .010   .005   .000  -.001
O53    .6509 -.0097 .3942     .036   .035   .036   .035   .018   .000   .000
O54    .4284   .219 .4032     .057   .057   .057   .057   .028   .000   .000
O55    .5613  .1151 .4086     .091   .091   .091   .091   .046   .000   .000
O56    .3386  .0291 .4239     .036   .036   .036   .036   .018   .000   .000
O57     .676  .0357 .4241     .012   .012   .012   .013   .006   .000   .000
O58    .1307  .2545 .4351     .055   .055   .055   .055   .028   .000   .000
O59     .346  .0014 .4534     .015   .015   .015   .015   .008  -.001   .000
O60    .2138  .1028 .4408     .034   .033   .033   .034   .017   .000   .000
O61    .3262  .3307 .4534     .043   .043   .043   .043   .021   .000   .000
O62    .2188  .4403 .4643     .064   .064   .064   .064   .032   .000   .000
O63    .4639   .531 .4667     .037   .037   .037   .037   .018   .000   .000
O64    .3279   .347 .4862     .023   .023   .023   .023   .011   .000   .000
O65    .2436  .1232 .4984     .024   .024   .024   .024   .012   .000   .000
O66    .3566  .3316 .5139     .013   .013   .013   .013   .007   .000   .000
S1         0      0     0     .042   .042   .042   .043   .021      0      0
S2       1/3    2/3  .029     .032   .032   .032   .032   .016      0      0
S3       2/3    1/3 .0597     .077   .077   .077   .077   .038      0      0
S4         0      0 .0897     .136
S5       1/3    2/3 .1125     .016
S6       1/3    2/3 .1631     .041   .040   .040   .042   .020      0      0
S7         0      0 .1707     .018   .018   .018   .018   .009      0      0
S8         0      0 .2226     .045   .045   .045   .044   .023      0      0
S9         0      0 .2994     .039   .039   .039   .039   .020      0      0
S10      2/3    1/3  .365     .005
S11        0      0 .3949     .004
S12     .356  .6929  .428     .009
S13      2/3    1/3 .4451     .002   .020   .020   .019   .010      0      0
S14      2/3    1/3 .4965     .024
Cl1      2/3    1/3 .2695     .035
Wat1     2/3    1/3 .1341     .002
Wat2     1/3    2/3 .2428     .002
Wat3    .362   .664 .3377     .012
O5SA     1/3    2/3 .0952     .097
O5SB   .2726  .5365 .1172     .025
O6SA     1/3    2/3 .1804     .006
O6SB     .26  .5371 .1587     .025
O7SA       0      0 .1533     .025
O7SB   .0643  .1264  .177     .094
O8SA       0      0 .2399     .006
O8SB   .0678  .1211 .2147     .049
O12B   .1896  .5856  .435     .045
O13A     2/3    1/3 .4277     .048
O13B   .5999  .2042 .4502     .028
O14A     2/3    1/3 .5138     .031
O14B   .6063  .2075 .4899     .003
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pargasite
Download hom/pargasite.pdf
Tait K T, Hawthorne F C, Della Ventura G
Download cm/vol39/CM39_1725.pdf
The Canadian Mineralogist 39 (2001) 1725-1732
Al-Mg disorder in a gem-quality pargasite from Baffin Island, Nunavut, Canada
Locality: Baffin Island, Nunavut, Canada
_database_code_amcsd 0005759
9.8814 17.967 5.2927 90 105.263 90 C2/m
atom        x      y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3)  U(2,3)
O(1)    .1066  .0873 .2167     .0111  .0083  .0162  .0090 -.0019  .0026  -.0010
O(2)    .1192  .1724 .7319     .0094  .0056  .0118  .0101  .0000  .0008   .0009
O(3)    .1068      0 .7159     .0077  .0057  .0081  .0089      0  .0011       0
O(4)    .3663    1/4 .7903     .0114  .0123  .0099  .0129 -.0019  .0050  -.0002
O(5)    .3505  .1393 .1104     .0125  .0086  .0168  .0108 -.0005  .0004   .0045
O(6)    .3447  .1169 .6098     .0127  .0091  .0150  .0135  .0001  .0021  -.0046
O(7)    .3418      0 .2823     .0149  .0127  .0120  .0191      0  .0026       0
Si(1)  .27988 .08548 .3030 .81 .0087  .0086  .0087  .0084 -.0009  .0016  -.0001
Al(1)  .27988 .08548 .3030 .19 .0087  .0086  .0087  .0084 -.0009  .0016  -.0001
Si(2)  .29017 .17327 .8125     .0072  .0071  .0076  .0069 -.0002  .0021  -.0004
Mg(1)       0 .08891   1/2 .97 .0082  .0085  .0097  .0064      0  .0023       0
Ti(1)       0 .08891   1/2 .03 .0082  .0085  .0097  .0064      0  .0023       0
Mg(2)       0 .17617     0 .70 .0051  .0057  .0050  .0048      0  .0018       0
Al(2)       0 .17617     0 .27 .0051  .0057  .0050  .0048      0  .0018       0
Fe(2)       0 .17617     0 .03 .0051  .0057  .0050  .0048      0  .0018       0
Mg(3)       0      0     0 .81 .0065  .0071  .0064  .0053      0  .0004       0
Al(3)       0      0     0 .17 .0065  .0071  .0064  .0053      0  .0004       0
Fe(3)       0      0     0 .02 .0065  .0071  .0064  .0053      0  .0004       0
Ca(4)       0 .27942   1/2 .91 .0101  .0117  .0095  .0107      0  .0057       0
Na(4)       0 .27942   1/2 .09 .0101  .0117  .0095  .0107      0  .0057       0
NaA(2)      0   .471     0 .62 .0200
KA(m)    .045    1/2  .095 .24 .0200
NaA(m)   .045    1/2  .095 .11 .0200
H(1)     .200      0  .832       .02
Download AMC data (View Text File)
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Chevkinite-(Ce)
Download hom/chevkinitece.pdf
Sokolova E V, Hawthorne F C, Della Ventura G, Kartashov P M
Download cm/vol42/CM42_1013.pdf
The Canadian Mineralogist 42 (2004) 1013-1025
Chevkinite-(Ce): Crystal structure and the effect of moderate radiation-induced
damage on site-occupancy refinement
Locality: Mongolia
Crystal (1)
_database_code_amcsd 0005956
13.4319 5.7628 11.0914 90 100.629 90 C2/m
atom        x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CeA1   .35601      0 .73503 .0181  .0180  .0181  .0182      0  .0036      0
CeA2   .06863      0 .74067 .0219  .0146  .0366  .0150      0  .0037      0
Fe2+M1     .5      0     .5 .0217  .0328  .0188  .0137      0  .0049      0
Fe3+M2    .25    .25      0 .0151  .0175  .0145  .0130 -.0002  .0022  .0005
TiM3        0      0      0 .0139  .0142  .0155  .0126      0  .0045      0
TiM4       .5      0      0 .0175  .0184  .0166  .0171      0  .0023      0
Si1     .2008     .5  .7312 .0293  .0318  .0272  .0294      0  .0067      0
Si2     .3567     .5  .5465 .0320  .0344  .0319  .0300      0  .0069      0
O1      .4775  .2539  .8734 .0149   .015   .016   .014  -.003   .004  -.004
O2      .1460      0  .9767 .0121   .013   .012   .013      0   .006      0
O3      .1843      0  .5969 .0154   .021   .015   .010      0   .003      0
O4      .3479      0  .9895 .0122   .012   .010   .015      0   .003      0
O5      .4245  .2739  .5973 .0235   .030   .019   .019   .002  -.003   .011
O6      .2285 -.7349  .8139 .0151   .027   .010   .009   .002   .002   .003
O7      .0818     .5  .6726  .033   .010   .060   .027      0  -.001      0
O8      .2648     .5  .6237  .040   .033   .068   .024      0   .023      0
Download AMC data (View Text File)
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Chevkinite-(Ce)
Download hom/chevkinitece.pdf
Sokolova E V, Hawthorne F C, Della Ventura G, Kartashov P M
Download cm/vol42/CM42_1013.pdf
The Canadian Mineralogist 42 (2004) 1013-1025
Chevkinite-(Ce): Crystal structure and the effect of moderate radiation-induced
damage on site-occupancy refinement
Locality: Mongolia
Reported formula: (Ce1.85 La1.11 Nd.53 Pr.15 Sm.04 Gd.03 Ca.32 Th.02)
(Fe2+.85 Mn2+.04 Zr.03 Y.03 Ca.05) (Ti2.54 Fe3+1.19 Nb.15) Si4.06 O22
Crystal (2)
_database_code_amcsd 0005957
13.534 5.789 11.159 90 100.57 90 C2/m
atom        x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CeA1   .35496      0 .73642 .0283  .0304  .0248  .0308      0  .0086      0
CeA2   .06918      0 .74232 .0316  .0242  .0462  .0254      0  .0073      0
Fe2+M1     .5      0     .5 .0347   .053  .0286  .0234      0  .0095      0
Fe3+M2    .25    .25      0 .0231  .0284  .0204  .0206  .0003  .0045  .0005
TiM3        0      0      0 .0209   .024   .019  .0222      0  .0085      0
TiM4       .5      0      0 .0266  .0301  .0215  .0277      0  .0041      0
Si1     .2020     .5  .7317 .0370   .041  .0303   .040      0  .0088      0
Si2     .3576     .5  .5470 .0416   .046   .041   .038      0  .0093      0
O1      .4776  .2532  .8744 .0223   .023   .026   .020  -.005  .0078  -.006
O2      .1468      0  .9786  .020   .021   .017   .023      0   .006      0
O3      .1827      0  .5957  .025   .036   .019   .019      0   .008      0
O4      .3486      0  .9886  .021   .024   .019   .019      0   .005      0
O5      .4247   .273  .5985  .037   .040   .037   .031   .003  -.005  .0172
O6      .2286 -.7354  .8138 .0193   .036   .010   .012   .000   .004   .003
O7      .0831     .5  .6737  .052   .016   .083   .053      0  -.004      0
O8      .2654     .5  .6254  .053   .044   .083   .039      0   .030      0
Download AMC data (View Text File)
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Chevkinite-(Ce)
Download hom/chevkinitece.pdf
Sokolova E V, Hawthorne F C, Della Ventura G, Kartashov P M
Download cm/vol42/CM42_1013.pdf
The Canadian Mineralogist 42 (2004) 1013-1025
Chevkinite-(Ce): Crystal structure and the effect of moderate radiation-induced
damage on site-occupancy refinement
Locality: Mongolia
Reported formula: (Ce1.85 La1.11 Nd.53 Pr.15 Sm.04 Gd.03 Ca.32 Th.02)
(Fe2+.85 Mn2+.04 Zr.03 Y.03 Ca.05) (Ti2.54 Fe3+1.19 Nb.15) Si4.06 O22
Crystal (2an)
_database_code_amcsd 0005958
13.400 5.7232 11.0573 90 100.537 90 C2/m
atom        x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CeA1   .35648      0 .73698      .0146  .0162  .0150  .0129      0  .0031      0
CeA2   .07064      0 .74336      .0177  .0128  .0263  .0129      0 -.0005      0
Fe2+M1     .5      0     .5  .85 .0119  .0141  .0151  .0049      0 -.0022      0
CaM1       .5      0     .5  .05 .0119  .0141  .0151  .0049      0 -.0022      0
MnM1       .5      0     .5  .04 .0119  .0141  .0151  .0049      0 -.0022      0
YM1        .5      0     .5  .03 .0119  .0141  .0151  .0049      0 -.0022      0
ZrM1       .5      0     .5  .03 .0119  .0141  .0151  .0049      0 -.0022      0
Fe3+M2    .25    .25      0 .595 .0100  .0129  .0110  .0055 -.0003  .0004  .0001
TiM2      .25    .25      0 .285 .0100  .0129  .0110  .0055 -.0003  .0004  .0001
NbM2      .25    .25      0  .08 .0100  .0129  .0110  .0055 -.0003  .0004  .0001
TiM3        0      0      0      .0163   .014 .02479   .010      0  .0023      0
TiM4       .5      0      0      .0156   .012   .022   .011      0 -.0012      0
Si1     .2020     .5  .7312      .0265   .030  .0248  .0240      0  .0031      0
Si2     .3596     .5  .5442      .0302   .032   .032  .0252      0  .0027      0
O1      .4781  .2522  .8732      .0109   .007   .017   .009  -.003   .000  -.003
O2      .1467      0  .9786       .009   .009   .008   .009      0   .000      0
O3      .1872      0  .5963       .012   .021   .013   .000      0   .001      0
O4      .3478      0  .9886      .0048   .003   .007   .004      0  -.002      0
O5      .4279   .269  .5905       .021   .019   .030   .012   .008   .000   .010
O6      .2277 -.7360  .8142      .0098   .021   .006   .003   .001   .002   .001
O7      .0851     .5  .6660       .028   .006   .048   .024      0  -.010      0
O8      .2734     .5  .6308       .034   .027   .054   .028      0   .025      0
Download AMC data (View Text File)
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Chevkinite-(Ce)
Download hom/chevkinitece.pdf
Sokolova E V, Hawthorne F C, Della Ventura G, Kartashov P M
Download cm/vol42/CM42_1013.pdf
The Canadian Mineralogist 42 (2004) 1013-1025
Chevkinite-(Ce): Crystal structure and the effect of moderate radiation-induced
damage on site-occupancy refinement
Locality: Mongolia
Reported formula: (Ce1.88 La1.01 Nd.61 Pr.19 Sm.06 Gd.03 Ca.27 Y.03 Th.02)
(Fe2+.93 Mn.06 Zr.01) (Ti2.55 Fe3+1.29 Nb.16) Si3.91 O22
Crystal (3an)
_database_code_amcsd 0005959
13.368 5.7243 11.041 90 100.516 90 C2/m
atom        x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CeA1   .35694      0 .73625      .0183  .0216  .0207  .0125      0  .0029      0
CeA2   .07052      0 .74265      .0211  .0178  .0334  .0114      0  .0012      0
Fe2+M1     .5      0     .5  .93 .0173  .0208  .0226  .0079      0  .0013      0
Mn2+M1     .5      0     .5  .06 .0173  .0208  .0226  .0079      0  .0013      0
ZrM1       .5      0     .5  .01 .0173  .0208  .0226  .0079      0  .0013      0
Fe3+M2    .25    .25      0 .645 .0127  .0176  .0144  .0057  .0006  .0007  .0001
TiM2      .25    .25      0 .275 .0127  .0176  .0144  .0057  .0006  .0007  .0001
NbM2      .25    .25      0  .08 .0127  .0176  .0144  .0057  .0006  .0007  .0001
TiM3        0      0      0      .0152  .0143   .026  .0050      0  .0011      0
TiM4       .5      0      0      .0194  .0186   .029  .0094      0 -.0003      0
Si1     .2014     .5  .7310      .0296  .0333  .0318  .0233      0  .0038      0
Si2     .3588     .5  .5447      .0332  .0368  .0385  .0227      0  .0013      0
O1      .4780  .2517  .8734      .0148  .0141   .020   .010  -.002   .004  -.001
O2      .1461      0  .9780      .0115   .012   .013   .008      0   .002      0
O3      .1872      0  .5969      .0168   .023   .020   .008      0   .003      0
O4      .3479      0  .9886      .0126   .017   .010   .011      0   .008      0
O5      .4264  .2708  .5915      .0272   .027   .038   .014   .007  -.002   .013
O6      .2273 -.7351  .8137      .0132   .026   .014   .000   .002   .001   .003
O7      .0833     .5  .6683       .030   .016   .054   .016      0  -.007      0
O8      .2719     .5  .6291       .041   .031   .077   .021      0   .021      0
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Wiluite
 
Bellatreccia F, Camara F, Ottolini L, Della Ventura G, Cibin G, Mottana A
Download cm/vol43/CM43_1457.pdf
The Canadian Mineralogist 43 (2005) 1457-1468
Wiluite from Ariccia, Latium, Italy: Occurrence and crystal structure
Locality: Ariccia, Latium, Italy
_database_code_amcsd 0006057
15.716 15.716 11.704 90 90 90 *P4/nnc
.25 .25 .25
atom         x       y      z    occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaX1       .75     .25    .25        .0092  .0137  .0080  .0058      0      0      0
CaX2   -.19038  .04495 .37987 .97875 .0101  .0096  .0119  .0087  .0016 -.0011  .0001
MgX2   -.19038  .04495 .37987 .01875 .0101  .0096  .0119  .0087  .0016 -.0011  .0001
SrX2   -.19038  .04495 .37987  .0025 .0101  .0096  .0119  .0087  .0016 -.0011  .0001
CaX3   -.10090 -.17893 .89483 .97861 .0175  .0131  .0160  .0234  .0004 -.0044 -.0023
LaX3   -.10090 -.17893 .89483 .00625 .0175  .0131  .0160  .0234  .0004 -.0044 -.0023
CeX3   -.10090 -.17893 .89483   .005 .0175  .0131  .0160  .0234  .0004 -.0044 -.0023
NdX3   -.10090 -.17893 .89483 .00125 .0175  .0131  .0160  .0234  .0004 -.0044 -.0023
CaX4       .75     .75 .14318     .5 .0105  .0087  .0087  .0142      0      0      0
Fe3+Y1     .75     .75 .05586    .18 .0188  .0102  .0102  .0359      0      0      0
TiY1       .75     .75 .05586   .135 .0188  .0102  .0102  .0359      0      0      0
MgY1       .75     .75 .05586    .13 .0188  .0102  .0102  .0359      0      0      0
MnY1       .75     .75 .05586   .055 .0188  .0102  .0102  .0359      0      0      0
AlY2         0       0      0  .9175 .0091  .0076  .0078  .0118  .0005 -.0002 -.0009
Fe3+Y2       0       0      0  .0475 .0091  .0076  .0078  .0118  .0005 -.0002 -.0009
MgY2         0       0      0   .035 .0091  .0076  .0078  .0118  .0005 -.0002 -.0009
MgY3   -.11165  .12018 .12789 .41875 .0094  .0101  .0100  .0081  .0007  .0004 -.0004
AlY3   -.11165  .12018 .12789 .41125 .0094  .0101  .0100  .0081  .0007  .0004 -.0004
Fe3+Y3 -.11165  .12018 .12789    .17 .0094  .0101  .0100  .0081  .0007  .0004 -.0004
BT1     .05304  .05304    .25   .545 .0183  .0217  .0217  .0115 -.0066 -.0089  .0089
AlT1    .05304  .05304    .25   .005 .0183  .0217  .0217  .0115 -.0066 -.0089  .0089
BeT1    .05304  .05304    .25   .005 .0183  .0217  .0217  .0115 -.0066 -.0089  .0089
HT1     .05304  .05304    .25  .1175 .0183  .0217  .0217  .0115 -.0066 -.0089  .0089
BT2        .25     .25    .25    .68 .0100
HT2        .25     .25  .2070    .16 .0200
SiZ1       .75     .25      0        .0069  .0075  .0075  .0056      0      0      0
SiZ2   -.17859  .04304 .87208        .0099  .0096  .0129  .0073  .0017 -.0006  .0018
SiZ3   -.08389 -.15020 .36491        .0079  .0099  .0070  .0070  .0014  .0006  .0003
O1     -.21994  .17280 .08462        .0107  .0140  .0092  .0090  .0000 -.0005  .0008
O2     -.12070  .16054 .28284        .0127  .0166  .0102  .0113 -.0002 -.0046  .0014
O3     -.04282  .22472 .07802        .0133  .0173  .0126  .0101  .0056  .0029  .0020
O4     -.06177  .10461 .47133        .0103  .0122  .0097  .0091  .0004 -.0018  .0008
O5     -.17148  .01169 .17953        .0117  .0119  .0131  .0101  .0048  .0004 -.0014
O6     -.12105 -.27629 .05351        .0148  .0190  .0122  .0133  .0021  .0023  .0053
O7A     .05565   .1760  .3201     .5 .0102
O7B      .0445   .1466  .3069     .5 .0172
O8     -.06037 -.09201 .06654        .0099  .0089  .0093  .0114  .0018  .0017 -.0003
O9     -.14607 -.14607    .25        .0124  .0136  .0136  .0099 -.0018 -.0015  .0015
O10        .75     .75  .8700    .66 .0305  .0317  .0317  .0279      0      0      0
O11A    -.0030   .0628  .1351 .48438 .0079
O11B    -.0013   .0536  .1543 .36438 .0109
F11B    -.0013   .0536  .1543 .15124 .0109
O12      .1772   .2733  .2044    .34 .0263
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Vlasovite
Download hom/vlasovite.pdf
Sokolova E, Hawthorne F C, Ball N A, Mitchell R H, Della Ventura G
Download cm/vol44/CM44_1349.pdf
The Canadian Mineralogist 44 (2006) 1349-1356
Vlasovite, Na2Zr(Si4O11), from the Kipawa alkaline complex, Quebec, Canada:
Crystal-structure refinement and infrared spectroscopy
Locality: Kipawa alkaline complex, Quebec, Canada
_database_code_amcsd 0006128
11.0390 10.0980 8.5677 90 100.313 90 C2/c
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3)  U(2,3)
Na1       0 .07593    .75      .0304  .0406  .0229  .0308      0  .0151       0
Na2A      0  .3985    .75 .82  .0448  .0265  .0312   .068      0 -.0140       0
Na2B  .9851  .4308   .834 .09  .0448  .0265  .0312   .068      0 -.0140       0
Zr      .25    .25      0     .01173 .01314 .01159 .01088 .00069 .00323 -.00015
Si1  .26448 .07231 .63875     .01306  .0143  .0123  .0126 .00067 .00227 -.00110
Si2  .04996 .21676 .42721     .01386  .0120  .0161  .0135 .00001 .00238 -.00019
O1        0 .16001    .25      .0207  .0265  .0209  .0133      0 -.0001       0
O2   .14362 .10274 .50471      .0291  .0260  .0284  .0281  .0125 -.0083  -.0041
O3   .11547 .35857  .4155      .0291  .0286  .0220  .0411 -.0104  .0182  -.0070
O4   .05651 .23057 .97038      .0200  .0156  .0249  .0206  .0001  .0065   .0016
O5   .23987 .13443 .80125      .0244  .0384  .0192  .0173  .0006  .0091  -.0052
O6   .28874 .08336 .14471      .0179  .0225  .0128  .0180 -.0014  .0022   .0019
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Richterite
Download hom/richterite.pdf
Robert J-L, Della Ventura G, Raudsepp M, Hawthorne F C
 
European Journal of Mineralogy 5 (1993) 199-206
Rietveld structure refinement of synthetic strontium-rich potassium-richterites
Sample: KSr_0
_database_code_amcsd 0006475
10.0547 17.997 5.2746 90 104.832 90 C2/m
atom     x     y     z occ Biso
KA   .0213    .5 .0270  .5  2.3
MgM1     0 .0895    .5       .6
MgM2     0 .1798     0       .6
MgM3     0     0     0       .6
NaM4     0 .2761    .5  .5   .9
CaM4     0 .2761    .5  .5   .9
SiT1 .2761 .0859 .3013       .4
SiT2 .2843 .1710 .8024       .4
O1   .1079 .0880 .2149       .8
O2   .1136 .1716 .7176       .8
OH3  .1078     0 .7236       .8
O4   .3542 .2486 .7854       .8
O5   .3345 .1300 .0945      1.1
O6   .3399 .1159 .6030      1.1
O7   .3271     0 .3072      1.2
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Richterite
Download hom/richterite.pdf
Robert J-L, Della Ventura G, Raudsepp M, Hawthorne F C
 
European Journal of Mineralogy 5 (1993) 199-206
Rietveld structure refinement of synthetic strontium-rich potassium-richterites
Sample: KSr_50
_database_code_amcsd 0006476
10.1063 18.056 5.2717 90 105.168 90 C2/m
atom     x     y     z occ Biso
KA   .0183    .5 .0304  .5  2.3
MgM1     0 .0900    .5       .6
MgM2     0 .1808     0       .6
MgM3     0     0     0       .6
NaM4     0 .2778    .5  .5   .9
CaM4     0 .2778    .5 .25   .9
SrM4     0 .2778    .5 .25   .4
SiT1 .2735 .0854 .3046       .4
SiT2 .2842 .1708 .8042       .8
O1   .1026 .0888 .2143       .8
O2   .1150 .1705 .7215       .8
OH3  .1061     0 .7291       .8
O4   .3538 .2479 .8008      1.1
O5   .3381 .1298 .0999      1.1
O6   .3346 .1137 .5963      1.2
O7   .3275     0 .2998
Download AMC data (View Text File)
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Richterite
Download hom/richterite.pdf
Robert J-L, Della Ventura G, Raudsepp M, Hawthorne F C
 
European Journal of Mineralogy 5 (1993) 199-206
Rietveld structure refinement of synthetic strontium-rich potassium-richterites
Sample: KSr_100
_database_code_amcsd 0006477
10.1534 18.115 5.2723 90 105.421 90 C2/m
atom     x     y     z occ Biso
KA   .0127    .5 .0228  .5  2.3
MgM1     0 .0898    .5       .6
MgM2     0 .1799     0       .6
MgM3     0     0     0       .6
NaM4     0 .2804    .5  .5   .9
SrM4     0 .2804    .5  .5   .9
SiT1 .2717 .0848 .3071       .4
SiT2 .2840 .1709 .8115       .4
O1   .1025 .0876 .2185       .8
O2   .1172 .1696 .7268       .8
OH3  .1085     0 .7188       .8
O4   .3557 .2468 .8013       .8
O5   .3372 .1282 .1054      1.1
O6   .3351 .1136 .6052      1.1
O7   .3275     0 .3100      1.2
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Farneseite
 
Camara F, Bellatreccia F, Della Ventura G, Mottana A
 
European Journal of Mineralogy 17 (2005) 839-846
Farneseite, a new mineral of the cancrinite - sodalite group
with a 14-layer stacking sequence: occurence and crystal structure
Locality: Latera Caldera, Farnese, Viterbo Province, Italy
_database_code_amcsd 0007136
12.8784 12.8784 37.0078 90 90 120 P6_3/m
atom     x      y     z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1A .5054  .0070 .3927 .467 .014   .011   .022   .015   .011  -.002  -.004
Ca1A .5054  .0070 .3927 .220 .014   .011   .022   .015   .011  -.002  -.004
Na1B .5240  .0470 .3887 .158 .030   .028   .026   .039   .014   .000   .002
Ca1B .5240  .0470 .3887 .074 .030   .028   .026   .039   .014   .000   .002
Na1C .4760 -.0580 .4015 .055 .039   .042   .080   .017   .050  -.010  -.011
Ca1C .4760 -.0580 .4015 .026 .039   .042   .080   .017   .050  -.010  -.011
Na2A   1/3    2/3 .3036 .123 .104   .017   .017   .280   .009      0      0
Ca2A   1/3    2/3 .3036 .070 .104   .017   .017   .280   .009      0      0
Na2B   1/3    2/3 .3479 .230 .050   .038   .038   .074   .019      0      0
Ca2B   1/3    2/3 .3479 .130 .050   .038   .038   .074   .019      0      0
Na3A .6800 -.1605 .4649 .410 .038   .071   .029   .028   .036   .024   .012
Ca3A .6800 -.1605 .4649 .023 .038   .071   .029   .028   .036   .024   .012
Na3B .5970 -.2044 .4543 .213 .043   .072   .036   .031   .035   .022   .018
Ca3B .5970 -.2044 .4543 .012 .043   .072   .036   .031   .035   .022   .018
Na3C .7360 -.1318 .4718 .324 .036   .044   .033   .034   .022   .007   .007
Ca3C .7360 -.1318 .4718 .018 .036   .044   .033   .034   .022   .007   .007
Na4A     0      0 .3832 .105 .029
Na4B     0      0 .4144 .805 .057   .028   .028   .114   .014      0      0
Na5A     0      0   .25 .078 .011
Ca5A     0      0   .25 .076 .011
Na5B     0      0 .2652 .151 .038   .029   .029   .058   .014      0      0
Ca5B     0      0 .2652 .147 .038   .029   .029   .058   .014      0      0
Na6  .5143  .0227   .25  .94 .035   .021   .046   .042   .020      0      0
Ca6  .5143  .0227   .25  .06 .035   .021   .046   .042   .020      0      0
K    .4372  .2190 .3180 .765 .035   .040   .026   .044   .020  -.010  -.004
NaK  .4372  .2190 .3180 .212 .035   .040   .026   .044   .020  -.010  -.004
CaK  .4372  .2190 .3180 .023 .035   .040   .026   .044   .020  -.010  -.004
Ca     2/3    1/3 .4798 .467 .031   .027   .027   .037   .014      0      0
Na     2/3    1/3 .4798 .533 .031   .027   .027   .037   .014      0      0
Al1  .6692  .0828 .4659      .016   .014   .018   .016   .009   .002   .001
Al2  .2524  .0028 .3922      .014   .015   .012   .014   .007  -.001   .000
Al3  .5897 -.0868 .3213      .011   .010   .011   .014   .007   .000   .000
Al4  .2523 -.0051   .25      .010   .009   .007   .013   .003      0      0
Si1  .3371 -.0813 .3213      .011   .009   .012   .013   .006   .000   .001
Si2  .7505 -.0015 .3934      .013   .013   .011   .015   .006  -.001  -.001
Si3  .4151  .0832 .4649      .014   .015   .013   .014   .008   .001   .003
Si4  .2524  .2507   .25      .010   .011   .008   .013   .005      0      0
S1       0      0    .5      .055   .055   .055   .055   .027      0      0
S2     2/3    1/3 .3794      .034   .033   .033   .037   .016      0      0
S3     2/3    1/3 .2500      .034   .031   .031   .041   .015      0      0
S4     1/3    2/3 .4247 .134 .050
O1   .3240 -.0134 .3561      .044   .041   .032   .035   .000   .024  -.014
O2   .6847  .0187 .4268      .049   .055   .041   .041   .015   .022  -.014
O3   .7839  .2269 .4734      .042   .021   .032   .049  -.006   .002  -.001
O4   .2387 -.2218 .3203      .027   .015   .014   .044   .002   .003   .002
O5   .4662 -.0702 .3251      .050   .010   .027   .117   .011  -.003  -.006
O6   .5417  .0902 .4620      .044   .028   .064   .054   .034   .020   .034
O7   .6657 -.0189 .3603      .048   .072   .044   .038   .036  -.036  -.018
O8   .6668  .0002 .5025      .042   .025   .056   .041   .017   .006   .033
O9   .3477  .0316 .4282      .041   .048   .038   .033   .019  -.024  -.007
O10  .3341 -.0132 .2862      .039   .033   .033   .031   .001  -.017   .016
O11  .7841 -.1015   .25      .024   .020   .010   .046   .010      0      0
O12  .2611  .1324   .25      .048   .019   .010   .116   .009      0      0
O13  .2209  .1157 .3873      .062   .086   .032   .088   .045  -.048  -.027
O14  .6708 -.0068 .2842      .048   .079   .037   .043   .040   .049   .026
O15  .7573 -.1190 .4030      .045   .066   .029   .058   .036  -.028  -.015
O30    2/3    1/3 .4196      .063   .073   .073   .042   .037      0      0
O31  .6074  .2101 .3665      .060   .056   .045   .073   .022  -.002  -.019
O32    2/3    1/3 .2835   .5 .050
O33  .5994  .2156 .2661   .5 .050
O34  .4018 -.2033 .4094      .077   .074   .089   .051   .029   .014   .014
O35    1/3    2/3 .4604      .050
O36  .8998 -.0076 .4803      .050
Cl   .3176 -.3024 .4306 .040 .050
S    .3176 -.3024 .4306 .183 .050
F    .3176 -.3024 .4306 .013 .050
Wat1 .3600 -.4070   .25 .266 .050
Wat2     0      0 .3238 .357 .050
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Phlogopite
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Scordari F, Ventruti G, Sabato A, Bellatreccia F, Della Ventura G, Pedrazzi G
 
European Journal of Mineralogy 18 (2006) 379-391
Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical,
approach: substitutional mechanisms and orientation of the OH dipoles
Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy
Sample: SA1-3
_database_code_amcsd 0007151
5.337 9.239 10.237 90 100.030 90 C2/m
atom      x      y      z    occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K         0     .5      0 1.0657 .0321  .0309  .0332  .0321      0  .0052      0
Mg1       0      0     .5  .7460 .0114  .0095  .0094  .0158      0  .0032      0
Fe1       0      0     .5  .2539 .0114  .0095  .0094  .0158      0  .0032      0
Mg2       0 .33500     .5  .7496 .0120  .0081  .0136  .0143      0  .0017      0
Fe2       0 .33500     .5  .2504 .0120  .0081  .0136  .0143      0  .0017      0
Si   .07516 .16682 .22580        .0117  .0102  .0108  .0142 .00004 .00212  .0000
O1    .3306 .22528 .16875        .0213  .0183  .0261  .0201 -.0059  .0051 -.0042
O2    .0068      0  .1696        .0204  .0262  .0162  .0174      0 -.0003      0
O3    .1307 .16761 .39126        .0128  .0126  .0123  .0139  .0000  .0031 -.0001
O4    .1324     .5  .3989        .0142  .0141  .0150  .0129      0  .0007      0
H      .119     .5   .313  .7105 .0142  .0141  .0150  .0129      0  .0007      0
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Phlogopite
Download hom/phlogopite.pdf
Scordari F, Ventruti G, Sabato A, Bellatreccia F, Della Ventura G, Pedrazzi G
 
European Journal of Mineralogy 18 (2006) 379-391
Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical,
approach: substitutional mechanisms and orientation of the OH dipoles
Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy
Sample: SA1-5
_database_code_amcsd 0007152
5.334 9.240 10.235 90 100.021 90 C2/m
atom      x      y      z    occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K         0     .5      0 1.0653 .0308  .0304  .0304  .0316      0  .0055      0
Mg1       0      0     .5  .7554 .0109  .0098  .0080  .0158      0  .0042      0
Fe1       0      0     .5  .2447 .0109  .0098  .0080  .0158      0  .0042      0
Mg2       0 .33555     .5  .7462 .0119 .00852  .0131  .0142      0 .00214      0
Fe2       0 .33555     .5  .2538 .0119 .00852  .0131  .0142      0 .00214      0
Si   .07514 .16687 .22577        .0107 .00994 .00927 .01315 .00008 .00240 .00008
O1    .3303 .22552 .16832        .0205  .0185  .0248  .0189 -.0064  .0051 -.0037
O2    .0063      0 .16935        .0201  .0264  .0140  .0185      0  .0001      0
O3   .13101 .16747 .39139        .0127  .0123  .0118  .0141  .0001  .0028  .0006
O4    .1324     .5 .39917        .0134  .0129  .0147  .0124      0  .0016      0
H      .115     .5   .332  .7027 .0134  .0129  .0147  .0124      0  .0016      0
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Phlogopite
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Scordari F, Ventruti G, Sabato A, Bellatreccia F, Della Ventura G, Pedrazzi G
 
European Journal of Mineralogy 18 (2006) 379-391
Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical,
approach: substitutional mechanisms and orientation of the OH dipoles
Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy
Sample: SA1-9
_database_code_amcsd 0007153
5.337 9.238 10.228 90 100.050 90 C2/m
atom      x      y      z    occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K         0     .5      0 1.0170 .0309  .0320  .0305  .0302      0  .0054      0
Mg1       0      0     .5  .7403 .0095  .0091  .0069  .0128      0  .0035      0
Fe1       0      0     .5  .2589 .0095  .0091  .0069  .0128      0  .0035      0
Mg2       0 .33610     .5  .7256 .0107 .00755 .01274  .0117      0 .00109      0
Fe2       0 .33610     .5  .2742 .0107 .00755 .01274  .0117      0 .00109      0
Si   .07503 .16690 .22570        .0091 .00903 .00808 .01012 .00009 .00158 .00019
O1    .3299 .22619 .16852        .0184  .0178  .0232  .0150 -.0063  .0049 -.0033
O2    .0087      0 .16952        .0185  .0261  .0133  .0146      0 -.0004      0
O3   .13035 .16764 .39156        .0110  .0109  .0109  .0113  .0004  .0022  .0003
O4    .1324     .5 .39905        .0119  .0122  .0133  .0100      0  .0012      0
H      .114     .5   .317  .6806 .0119  .0122  .0133  .0100      0  .0012      0
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Phlogopite
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Scordari F, Ventruti G, Sabato A, Bellatreccia F, Della Ventura G, Pedrazzi G
 
European Journal of Mineralogy 18 (2006) 379-391
Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical,
approach: substitutional mechanisms and orientation of the OH dipoles
Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy
Sample: SA1-51
_database_code_amcsd 0007154
5.336 9.236 10.223 90 100.058 90 C2/m
atom      x      y      z    occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K         0     .5      0 1.0451 .0301  .0305  .0306  .0292      0 .00536      0
Mg1       0      0     .5  .7249 .0098 .00893 .00821 .01293      0 .00364      0
Fe1       0      0     .5  .2736 .0098 .00893 .00821 .01293      0 .00364      0
Mg2       0 .33579     .5  .7235 .0108 .00721 .01362 .01140      0 .00130      0
Fe2       0 .33579     .5  .2760 .0108 .00721 .01362 .01140      0 .00130      0
Si   .07504 .16693 .22557        .0090 .00835 .00903 .00963 .00000 .00167 .00014
O1   .32969 .22605 .16825        .0190  .0175  .0249  .0153 -.0067 .00448 -.0035
O2    .0083      0 .16922        .0190  .0266  .0138  .0149      0 -.0007      0
O3   .13067 .16769 .39140        .0111 .01136 .01192 .01001 .00027 .00159 .00010
O4   .13192     .5 .39899        .0126  .0122  .0147  .0107      0  .0018      0
H      .112     .5   .331  .6949 .0126  .0122  .0147  .0107      0  .0018      0
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Phlogopite
Download hom/phlogopite.pdf
Scordari F, Ventruti G, Sabato A, Bellatreccia F, Della Ventura G, Pedrazzi G
 
European Journal of Mineralogy 18 (2006) 379-391
Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical,
approach: substitutional mechanisms and orientation of the OH dipoles
Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy
Sample: SA1-52
_database_code_amcsd 0007155
5.335 9.242 10.231 90 100.001 90 C2/m
atom      x      y      z    occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K         0     .5      0 1.0091 .0315  .0313  .0321  .0316      0  .0068      0
Mg1       0      0     .5  .7370 .0107  .0096  .0084  .0148      0  .0042      0
Fe1       0      0     .5  .2625 .0107  .0096  .0084  .0148      0  .0042      0
Mg2       0 .33530     .5  .7303 .0116  .0081  .0132  .0137      0  .0022      0
Fe2       0 .33530     .5  .2696 .0116  .0081  .0132  .0137      0  .0022      0
Si   .07514 .16686 .22597        .0103 .00939 .00923  .0125 -.0001 .00268  .0000
O1    .3301 .22632 .16888        .0201  .0182  .0246  .0181 -.0053  .0054 -.0034
O2    .0084      0  .1697        .0197  .0257  .0152  .0172      0  .0004      0
O3    .1306 .16728 .39175        .0121  .0122  .0114  .0129 -.0001  .0024 -.0006
O4    .1317     .5 .39840        .0125  .0118  .0133  .0125      0  .0025      0
H      .113     .5   .317  .7015 .0125  .0118  .0133  .0125      0  .0025      0
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Na2Mg6Si8O22(OH)2
 
Camara F, Oberti R, Iezzi G, Della Ventura G
 
Physics and Chemistry of Minerals 30 (2003) 570-581
The P2_1/m - C2/m phase transition in synthetic amphibole
Na NaMg Mg5 Si8 O22 (OH)2: thermodynamic and crystal-chemical evaluation
Sample: T = ambient
_database_code_amcsd 0008832
9.685 17.920 5.268 90 102.44 90 P2_1/m
atom      x     y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaA   .2658   .25 .0456  .81 3.83  .0063  .0044  .0414      0  .0130      0
Mg1  -.2500 .3382 .4847       .64  .0023  .0005  .0048      0  .0008 -.0001
Mg2  -.2501 .4295 .9838       .65  .0021  .0004  .0063      0  .0010  .0002
Mg3  -.2496   .25 .9858       .61  .0021  .0004  .0050      0  .0004      0
Mg4  -.2468 .5065 .4812 .595  .80  .0024  .0007  .0072      0  .0027  .0002
Na4' -.2606 .5209 .4797 .405 1.46
Si1A  .0324 .3355 .2616       .50  .0017  .0004  .0043 -.0001  .0005 -.0001
Si1B  .5320 .8344 .2951       .49  .0017  .0004  .0037      0  .0006  .0001
Si2A  .0407 .4215 .7678       .52  .0017  .0004  .0041 -.0001  .0005 -.0001
Si2B  .5441 .9195 .7991       .60  .0020  .0005  .0046 -.0003  .0004  .0002
O1A  -.1368 .3365 .1970       .59  .0019  .0005  .0048 -.0001  .0007 -.0002
O1B   .3629 .8367 .2257       .58  .0018  .0005  .0046      0  .0006      0
O2A  -.1300 .4215 .7021       .72  .0018  .0007  .0062 -.0001  .0010 -.0005
O2B   .3735 .9219 .7355       .77  .0025  .0007  .0050 -.0001  .0008 -.0003
O3A  -.1398   .25 .6937       .68  .0022  .0005  .0058      0  .0007      0
O3B   .3576   .75 .7219       .71  .0017  .0006  .0071      0  .0009      0
O4A   .1199 .4990 .7951      1.08  .0042  .0005  .0093 -.0006 -.0007 -.0002
O4B   .6260 .9938 .7662      1.86  .0066  .0011  .0127 -.0017 -.0039  .0018
O5A   .0965 .3676 .0237       .95  .0024  .0010  .0074  .0001  .0013  .0012
O5B   .6000 .8852 .0970       .90  .0023  .0008  .0076 -.0002  .0009  .0009
O6A   .0996 .3802 .5269      1.00  .0023  .0010  .0082  .0003      0 -.0017
O6B   .5928 .8578 .5969      1.01  .0023  .0012  .0059  .0002  .0003 -.0011
O7A   .0922   .25 .3006       .86  .0024  .0004  .0116      0  .0012      0
O7B   .5896   .75 .2607       .87  .0021  .0004  .0136      0  .0019      0
H1    -.056   .25  .727      3.86
H2     .561   .25  .246      2.21
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Na2Mg6Si8O22(OH)2
 
Camara F, Oberti R, Iezzi G, Della Ventura G
 
Physics and Chemistry of Minerals 30 (2003) 570-581
The P2_1/m - C2/m phase transition in synthetic amphibole
Na NaMg Mg5 Si8 O22 (OH)2: thermodynamic and crystal-chemical evaluation
Sample: T = 140 C
_database_code_amcsd 0008833
9.706 17.986 5.286 90 102.37 90 P2_1/m
atom      x     y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaA   .2707   .25 .0444  .81 3.83  .0063  .0044  .0414      0  .0130      0
Mg1  -.2485 .3382 .4908       .64  .0023  .0005  .0048      0  .0008 -.0001
Mg2  -.2503 .4296 .9829       .65  .0021  .0004  .0063      0  .0010  .0002
Mg3  -.2533   .25 .9898       .61  .0021  .0004  .0050      0  .0004      0
Mg4  -.2406 .5059 .4925 .595  .80  .0024  .0007  .0072      0  .0027  .0002
Na4' -.2593 .5228 .4710 .405 1.46
Si1A  .0323 .3359 .2645       .50  .0017  .0004  .0043 -.0001  .0005 -.0001
Si1B  .5306 .8343 .2894       .49  .0017  .0004  .0037      0  .0006  .0001
Si2A  .0401 .4216 .7722       .52  .0017  .0004  .0041 -.0001  .0005 -.0001
Si2B  .5446 .9195 .7963       .60  .0020  .0005  .0046 -.0003  .0004  .0002
O1A  -.1388 .3357 .1957       .59  .0019  .0005  .0048 -.0001  .0007 -.0002
O1B  -.1278 .4211 .7126       .58  .0018  .0005  .0046      0  .0006      0
O2A   .3651 .8370 .2278       .72  .0018  .0007  .0062 -.0001  .0010 -.0005
O2B   .3701 .9216 .7263       .77  .0025  .0007  .0050 -.0001  .0008 -.0003
OH3A -.1361   .25 .6983       .68  .0022  .0005  .0058      0  .0007      0
OH3B  .3551   .75 .7236       .71  .0017  .0006  .0071      0  .0009      0
O4A   .1246 .4986 .7891      1.08  .0042  .0005  .0093 -.0006 -.0007 -.0002
O4B   .6204 .9947 .7724      1.86  .0066  .0011  .0127 -.0017 -.0039  .0018
O5A   .0961 .3692 .0319       .95  .0024  .0010  .0074  .0001  .0013  .0012
O5B   .5987 .8833 .0878       .90  .0023  .0008  .0076 -.0002  .0009  .0009
O6A   .0985 .3777 .5357      1.00  .0023  .0010  .0082  .0003      0 -.0017
O6B   .5943 .8586 .5877      1.01  .0023  .0012  .0059  .0002  .0003 -.0011
O7A   .0942   .25 .3001       .86  .0024  .0004  .0116      0  .0012      0
O7B   .5869   .75 .2608       .87  .0021  .0004  .0136      0  .0019      0
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Na2Mg6Si8O22(OH)2
 
Camara F, Oberti R, Iezzi G, Della Ventura G
 
Physics and Chemistry of Minerals 30 (2003) 570-581
The P2_1/m - C2/m phase transition in synthetic amphibole
Na NaMg Mg5 Si8 O22 (OH)2: thermodynamic and crystal-chemical evaluation
Sample: T = 270 C
_database_code_amcsd 0008834
9.723 18.027 5.301 90 102.26 90 C2/m
atom      x     y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaA       0    .5     0  .31 2.27  .0027  .0041  .0027      0 -.0022      0
NaAm  .0259    .5 .0914  .25 2.76  .0050  .0036  .0213      0  .0071      0
Mg1       0 .0883    .5       .85  .0031  .0010  .0022      0  .0020      0
Mg2       0 .1795     0      1.11  .0038  .0006  .0114      0  .0022      0
Mg3       0     0     0       .87  .0017  .0004  .0117      0 -.0013      0
Mg4       0 .2620    .5 .595 2.54  .0078  .0030  .0133      0  .0085      0
Na4       0 .2620    .5 .405 2.54  .0078  .0030  .0133      0  .0085      0
Si1   .2810 .0850 .2759       .65  .0025  .0005  .0038  .0002  .0014      0
Si2   .2924 .1707 .7833       .84  .0023  .0007  .0075 -.0002  .0009  .0003
O1    .1126 .0863 .2117       .86  .0016  .0009  .0080 -.0003  .0012  .0001
O2    .1221 .1718 .7191      1.14  .0041  .0011  .0055 -.0004  .0019  .0001
O3    .1088     0 .7058      1.10  .0030  .0007  .0119      0  .0014      0
O4    .3714 .2469 .7798      1.80  .0052  .0011  .0162 -.0012 -.0019  .0004
O5    .3467 .1266 .0588      1.56  .0038  .0018  .0105  .0001  .0028  .0024
O6    .3456 .1191 .5591      1.70  .0032  .0024  .0058  .0006 -.0007 -.0029
O7    .3393     0 .2782      1.64  .0059  .0004  .0230      0  .0049      0
H      .195     0  .767       .01
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Na2Mg6Si8O22(OH)2
 
Camara F, Oberti R, Iezzi G, Della Ventura G
 
Physics and Chemistry of Minerals 30 (2003) 570-581
The P2_1/m - C2/m phase transition in synthetic amphibole
Na NaMg Mg5 Si8 O22 (OH)2: thermodynamic and crystal-chemical evaluation
Sample: T = 370 C
_database_code_amcsd 0008835
9.737 18.049 5.303 90 102.22 90 C2/m
atom      x     y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaA       0    .5     0  .31 2.64  .0045  .0043  .0031      0 -.0028      0
NaAm  .0340    .5 .1132  .25 3.21  .0070  .0041  .0144      0  .0002      0
Mg1       0 .0882    .5      1.14  .0049  .0012  .0035      0  .0041      0
Mg2       0 .1801     0      1.37  .0035  .0009  .0151      0  .0012      0
Mg3       0     0     0      1.59  .0053  .0003  .0207      0  .0001      0
Mg4       0 .2617    .5 .595 2.36  .0058  .0031  .0127      0  .0076      0
Na4       0 .2617    .5 .405 2.36  .0058  .0031  .0127      0  .0076      0
Si1   .2812 .0850 .2756       .80  .0023  .0008  .0056 -.0001  .0012  .0001
Si2   .2917 .1707 .7826       .97  .0037  .0007  .0067 -.0003  .0013  .0001
O1    .1133 .0862 .2098       .93  .0020  .0009  .0102      0  .0036 -.0001
O2    .1218 .1722 .7198      1.44  .0052  .0011  .0071 -.0005 -.0020 -.0005
O3    .1090     0 .7091      1.79  .0057  .0006  .0225      0  .0022      0
O4    .3728 .2467 .7846      2.04  .0069  .0015  .0128 -.0012 -.0008  .0006
O5    .3466 .1263 .0572      1.85  .0056  .0021  .0083 -.0001  .0029  .0026
O6    .3445 .1193 .5583      1.98  .0032  .0025  .0143  .0005  .0010 -.0029
O7    .3389     0 .2758      1.70  .0031  .0011  .0245      0  .0026      0
H      .177     0  .733      2.84
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Ferri-clinoholmquistite
 
Iezzi G, Camara F, Della Ventura G, Oberti R, Pedrazzi G, Robert J-L
 
Physics and Chemistry of Minerals 31 (2004) 375-385
Synthesis, crystal structure and crystal chemistry of ferri-clinoholmquistite,
_Li2Mg3Fe3+2Si8O22(OH)2
Sample: 152
_database_code_amcsd 0008866
9.466 17.970 5.288 90 101.84 90 C2/m
atom     x     y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
LiA2     0   .44    .5  .10
Mg1      0 .0883    .5  .80  1.0  .0028  .0002  .0174      0  .0020      0
Fe2+1    0 .0883    .5  .20  1.0  .0028  .0002  .0174      0  .0020      0
Fe3+2    0 .1811     0  .52   .6  .0027  .0002  .0067      0  .0015      0
Mg2      0 .1811     0  .48   .6  .0027  .0002  .0067      0  .0015      0
Mg3      0     0     0  .80   .5  .0026  .0003  .0031      0  .0005      0
Fe2+3    0     0     0  .20   .5  .0026  .0003  .0031      0  .0005      0
Li4      0 .2566    .5  .63  1.5  .0035  .0008  .0227      0  .0044      0
Fe2+4    0 .2566    .5 .225  1.5  .0035  .0008  .0227      0  .0044      0
Mg4      0 .2566    .5 .145  1.5  .0035  .0008  .0227      0  .0044      0
Si1  .2883 .0852 .2723        .7  .0024  .0002  .0110  .0001  .0019  .0004
Si2  .2978 .1702 .7835        .6  .0027  .0002  .0066  .0004  .0009  .0003
O1   .1145 .0879 .2067       1.1  .0037  .0006  .0124  .0007  .0009  .0008
O2   .1225 .1725 .7238        .8  .0034  .0001  .0116      0  .0003  .0004
O3   .1115     0 .7017       1.0  .0018  .0000  .0238      0  .0025      0
O4   .3760 .2487 .7705       1.0  .0030  .0007  .0099  .0004  .0008  .0003
O5   .3522 .1303 .0587        .9  .0028  .0008  .0052  .0001  .0023  .0014
O6   .3481 .1189 .5583       1.1  .0025  .0014  .0053  .0011  .0001  .0020
O7   .3425     0 .2740       1.1  .0036  .0000  .0229      0  .0046      0
H      .19     0   .74       1.0
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Sekaninaite
Download hom/sekaninaite.pdf
Radica F, Capitelli F, Bellatreccia F, Della Ventura G, Cavallo A,
Piccinini M, Hawthorne F C
 
Mineralogical Magazine 77 (2013) 485-498
Spectroscopy and X-ray structure refinement of sekaninaite
from Dolni Bory (Czech Republic)
Locality: Dolni Bory, Czech Republic
_database_code_amcsd 0020088
17.2340 9.8457 9.3463 90 90 90 Cccm
atom      x       y      z  occ   Uiso
Na        0       0      0 .203   .035
MgM  .33688       0    .25 .035 .01448
FeM  .33688       0    .25 .873 .01448
LiM  .33688       0    .25  .09 .01448
AlT4    .25     .25 .25011      .01421
AlT5 .04972  .30757      0      .01298
SiT1      0      .5    .25       .0136
SiT2 .18999  .07921      0      .01273
SiT3 .13471  .76594      0      .01270
O1   .24402  .89508 .35809       .0166
O2   .06074  .58523 .34885       .0165
O3   .82705  .69477 .35782       .0167
O4   .04328   .7543      0       .0210
O5   .11931  .18336      0       .0209
O6   .16213 -.07670      0       .0204
O7    .0580       0    .25  .03   .069
Wat8      0       0    .25  .62   .101
C8        0       0    .25  .03   .101
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Fluoro-pargasite
 
Della Ventura G, Bellatreccia F, Camara F, Oberti R
 
Mineralogical Magazine 78 (2014) 293-310
Crystal-chemistry and short-range order of fluoro-edenite and fluoro-pargasite:
a combined X-ray diffraction and FTIR spectroscopic approach
Note: Sample J9698
Locality: Edenville, Orange County, New York, USA
_database_code_amcsd 0020429
9.849 17.973 5.2867 90 105.17 90 C2/m
atom      x      y      z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
CaA       0     .5      0 .002 1.13  .0025  .0010  .0143      0  .0046      0
NaA       0     .5      0  .16 1.13  .0025  .0010  .0143      0  .0046      0
KA        0     .5      0 .022 1.13  .0025  .0010  .0143      0  .0046      0
CaAm .04390     .5 .09781 .002 2.77  .0056  .0029  .0242      0  .0032      0
NaAm .04390     .5 .09781  .16 2.77  .0056  .0029  .0242      0  .0032      0
KAm  .04390     .5 .09781 .022 2.77  .0056  .0029  .0242      0  .0032      0
CaA2      0 .47334      0 .002 2.78  .0090  .0010  .0513      0  .0198      0
NaA2      0 .47334      0  .16 2.78  .0090  .0010  .0513      0  .0198      0
KA2       0 .47334      0 .022 2.78  .0090  .0010  .0513      0  .0198      0
MgM1      0 .08902     .5 .842  .59  .0017  .0004  .0055      0  .0006      0
AlM1      0 .08902     .5 .092  .59  .0017  .0004  .0055      0  .0006      0
TiM1      0 .08902     .5  .01  .59  .0017  .0004  .0055      0  .0006      0
FeM1      0 .08902     .5 .042  .59  .0017  .0004  .0055      0  .0006      0
MgM2      0 .17586      0 .842  .56  .0014  .0004  .0059      0  .0005      0
AlM2      0 .17586      0 .092  .56  .0014  .0004  .0059      0  .0005      0
TiM2      0 .17586      0  .01  .56  .0014  .0004  .0059      0  .0005      0
FeM2      0 .17586      0 .042  .56  .0014  .0004  .0059      0  .0005      0
MgM3      0      0      0 .842  .61  .0017  .0004  .0057      0  .0002      0
AlM3      0      0      0 .092  .61  .0017  .0004  .0057      0  .0002      0
TiM3      0      0      0  .01  .61  .0017  .0004  .0057      0  .0002      0
FeM3      0      0      0 .042  .61  .0017  .0004  .0057      0  .0002      0
CaM4      0 .27913     .5       .77  .0023  .0005  .0086      0  .0020      0
SiT1 .28097 .08495 .30239 .825  .47  .0010  .0004  .0050      0  .0001      0
AlT1 .28097 .08495 .30239 .175  .47  .0010  .0004  .0050      0  .0001      0
SiT2 .29018 .17274 .81150 .825  .50  .0011  .0004  .0050      0  .0005  .0001
AlT2 .29018 .17274 .81150 .175  .50  .0011  .0004  .0050      0  .0005  .0001
O1   .10789 .08660 .21813       .71  .0017  .0007  .0060 -.0003  .0006 -.0004
O2   .11909 .17190 .73121       .67  .0013  .0005  .0074      0      0  .0001
OH3  .10565      0 .71408  .29  .88  .0024  .0006  .0091      0  .0009      0
F3   .10565      0 .71408 .705  .88  .0024  .0006  .0091      0  .0009      0
Cl3  .10565      0 .71408 .005  .88  .0024  .0006  .0091      0  .0009      0
O4   .36574 .25033 .79079       .86  .0026  .0006  .0094 -.0002  .0020 -.0001
O5   .34988 .13859 .10929       .94  .0019  .0010  .0079  .0001  .0002  .0010
O6   .34506 .11758 .60568       .91  .0017  .0008  .0102      0  .0008 -.0008
O7   .34247      0 .28354      1.07  .0023  .0007  .0136      0  .0005      0
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Fluoro-pargasite
 
Della Ventura G, Bellatreccia F, Camara F, Oberti R
 
Mineralogical Magazine 78 (2014) 293-310
Crystal-chemistry and short-range order of fluoro-edenite and fluoro-pargasite:
a combined X-ray diffraction and FTIR spectroscopic approach
Note: Sample FK1
Locality: Edenville, Orange County, New York, USA
_database_code_amcsd 0020430
9.862 17.998 5.2942 90 105.17 90 C2/m
atom      x      y      z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaA       0     .5      0  .15 1.49  .0036  .0013  .0201      0  .0071      0
KA        0     .5      0 .026 1.49  .0036  .0013  .0201      0  .0071      0
NaAm .04528     .5 .10067  .15 2.52  .0037  .0035  .0160      0  .0017      0
KAm  .04528     .5 .10067 .026 2.52  .0037  .0035  .0160      0  .0017      0
NaA2      0 .47294      0  .15 1.87  .0054  .0012  .0289      0  .0116      0
KA2       0 .47294      0 .026 1.87  .0054  .0012  .0289      0  .0116      0
MgM1      0 .08910     .5 .818  .54  .0015  .0004  .0061      0  .0012      0
AlM1      0 .08910     .5 .092  .54  .0015  .0004  .0061      0  .0012      0
TiM1      0 .08910     .5 .008  .54  .0015  .0004  .0061      0  .0012      0
ZnM1      0 .08910     .5 .002  .54  .0015  .0004  .0061      0  .0012      0
FeM1      0 .08910     .5 .074  .54  .0015  .0004  .0061      0  .0012      0
MgM2      0 .17601      0 .818  .50  .0012  .0003  .0064      0  .0010      0
AlM2      0 .17601      0 .092  .50  .0012  .0003  .0064      0  .0010      0
TiM2      0 .17601      0 .008  .50  .0012  .0003  .0064      0  .0010      0
ZnM2      0 .17601      0 .002  .50  .0012  .0003  .0064      0  .0010      0
FeM2      0 .17601      0 .074  .50  .0012  .0003  .0064      0  .0010      0
MgM3      0      0      0 .818  .51  .0014  .0003  .0056      0  .0006      0
AlM3      0      0      0 .092  .51  .0014  .0003  .0056      0  .0006      0
TiM3      0      0      0 .008  .51  .0014  .0003  .0056      0  .0006      0
ZnM3      0      0      0 .002  .51  .0014  .0003  .0056      0  .0006      0
FeM3      0      0      0 .074  .51  .0014  .0003  .0056      0  .0006      0
CaM4      0 .27916     .5       .76  .0022  .0005  .0097      0  .0026      0
SiT1 .28064 .08506 .30189 .825  .41  .0008  .0003  .0055      0  .0007      0
AlT1 .28064 .08506 .30189 .175  .41  .0008  .0003  .0055      0  .0007      0
SiT2 .29019 .17281 .81134 .825  .44  .0009  .0004  .0055      0  .0009  .0001
AlT2 .29019 .17281 .81134 .175  .44  .0009  .0004  .0055      0  .0009  .0001
O1   .10783 .08689 .21743       .68  .0015  .0006  .0069 -.0003  .0013 -.0003
O2   .11931 .17229 .73105       .62  .0011  .0004  .0085      0  .0007  .0002
O3   .10663      0 .71453   .4  .83  .0022  .0006  .0096      0  .0016      0
F3   .10663      0 .71453  .59  .83  .0022  .0006  .0096      0  .0016      0
Cl3  .10663      0 .71453 .015  .83  .0022  .0006  .0096      0  .0016      0
O4   .36594 .25021 .79092       .79  .0023  .0005  .0096 -.0002  .0023 -.0001
O5   .34955 .13877 .10874       .89  .0018  .0008  .0086      0  .0007  .0009
O6   .34470 .11753 .60525       .86  .0016  .0007  .0108  .0001  .0015 -.0008
O7   .34173      0 .28363      1.04  .0021  .0005  .0154      0  .0010      0
H    .17631      0 .74434   .4 1.00 1.0000      0      0      0      0      0
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Fluoro-edenite
 
Della Ventura G, Bellatreccia F, Camara F, Oberti R
 
Mineralogical Magazine 78 (2014) 293-310
Crystal-chemistry and short-range order of fluoro-edenite and fluoro-pargasite:
a combined X-ray diffraction and FTIR spectroscopic approach
Note: Sample C2552
Locality: Sterling Hill, Ogdensburg, New Jersey, USA
_database_code_amcsd 0020431
9.865 18.026 5.2836 90 105.013 90 C2/m
atom        x      y      z   occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaA         0     .5      0  .176 2.24  .0067  .0020  .0210      0  .0079      0
KA          0     .5      0   .01 2.24  .0067  .0020  .0210      0  .0079      0
NaAm   .04635     .5 .10415  .176 2.10  .0046  .0025  .0148      0  .0038      0
KAm    .04635     .5 .10415   .01 2.10  .0046  .0025  .0148      0  .0038      0
NaA2        0 .47156      0  .176 2.77  .0099  .0008  .0505      0  .0207      0
KA2         0 .47156      0   .01 2.77  .0099  .0008  .0505      0  .0207      0
MgM1        0 .08864     .5  .868  .53  .0018  .0004  .0042      0  .0011      0
AlM1        0 .08864     .5  .018  .53  .0018  .0004  .0042      0  .0011      0
Fe3+M1      0 .08864     .5   .01  .53  .0018  .0004  .0042      0  .0011      0
TiM1        0 .08864     .5  .008  .53  .0018  .0004  .0042      0  .0011      0
ZnM1        0 .08864     .5  .002  .53  .0018  .0004  .0042      0  .0011      0
Fe2+M1      0 .08864     .5  .098  .53  .0018  .0004  .0042      0  .0011      0
MnM1        0 .08864     .5  .002  .53  .0018  .0004  .0042      0  .0011      0
MgM2        0 .17620      0  .868  .49  .0015  .0004  .0046      0  .0010      0
AlM2        0 .17620      0  .018  .49  .0015  .0004  .0046      0  .0010      0
Fe3+M2      0 .17620      0   .01  .49  .0015  .0004  .0046      0  .0010      0
TiM2        0 .17620      0  .008  .49  .0015  .0004  .0046      0  .0010      0
ZnM2        0 .17620      0  .002  .49  .0015  .0004  .0046      0  .0010      0
Fe2+M2      0 .17620      0  .098  .49  .0015  .0004  .0046      0  .0010      0
MnM2        0 .17620      0  .002  .49  .0015  .0004  .0046      0  .0010      0
MgM3        0      0      0  .868  .54  .0017  .0004  .0049      0  .0007      0
AlM3        0      0      0  .018  .54  .0017  .0004  .0049      0  .0007      0
Fe3+M3      0      0      0   .01  .54  .0017  .0004  .0049      0  .0007      0
TiM3        0      0      0  .008  .54  .0017  .0004  .0049      0  .0007      0
ZnM3        0      0      0  .002  .54  .0017  .0004  .0049      0  .0007      0
Fe2+M3      0      0      0  .098  .54  .0017  .0004  .0049      0  .0007      0
MnM3        0      0      0  .002  .54  .0017  .0004  .0049      0  .0007      0
CaM4        0 .27848     .5   .48  .79  .0027  .0005  .0088      0  .0029      0
NaM4        0 .27848     .5 .0125  .79  .0027  .0005  .0088      0  .0029      0
CaM4'       0 .25755     .5   .48  .94  .9352      0      0      0      0      0
NaM4'       0 .25755     .5 .0125  .94  .9352      0      0      0      0      0
SiT1   .28091 .08455 .30040 .8575  .44  .0012  .0003  .0042      0  .0006      0
AlT1   .28091 .08455 .30040 .1425  .44  .0012  .0003  .0042      0  .0006      0
SiT2   .28960 .17200 .80821 .8575  .45  .0012  .0004  .0040      0  .0007      0
AlT2   .28960 .17200 .80821 .1425  .45  .0012  .0004  .0040      0  .0007      0
O1     .10962 .08564 .21880        .62  .0016  .0006  .0050 -.0001  .0008 -.0002
O2     .11978 .17135 .72712        .61  .0013  .0006  .0058      0  .0006      0
O3     .10625      0 .71453   .34  .86  .0025  .0007  .0080      0  .0015      0
F3     .10625      0 .71453  .655  .86  .0025  .0007  .0080      0  .0015      0
Cl3    .10625      0 .71453  .005  .86  .0025  .0007  .0080      0  .0015      0
O4     .36481 .24920 .78973        .79  .0026  .0005  .0078 -.0003  .0018 -.0001
O5     .34894 .13711 .10513        .93  .0019  .0010  .0076      0  .0007  .0010
O6     .34560 .11700 .60216        .86  .0018  .0008  .0090      0  .0011 -.0008
O7     .34273      0 .28313       1.02  .0024  .0007  .0124      0  .0013      0
H      .19118      0 .75125   .34 1.00 1.0000      0      0      0      0      0
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Fluoro-edenite
 
Della Ventura G, Bellatreccia F, Camara F, Oberti R
 
Mineralogical Magazine 78 (2014) 293-310
Crystal-chemistry and short-range order of fluoro-edenite and fluoro-pargasite:
a combined X-ray diffraction and FTIR spectroscopic approach
Note: Sample GE408
Locality: Limecrest-Southdown Quarry, Sparta, New Jersey, USA
_database_code_amcsd 0020432
9.871 18.033 5.2805 90 104.97 90 C2/m
atom       x      y      z   occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
CaA        0     .5      0  .006 1.73  .0047  .0012  .0232      0  .0069      0
NaA        0     .5      0   .13 1.73  .0047  .0012  .0232      0  .0069      0
KA         0     .5      0  .022 1.73  .0047  .0012  .0232      0  .0069      0
CaAm  .04458     .5 .09785  .006 2.04  .0047  .0019  .0222      0  .0060      0
NaAm  .04458     .5 .09785   .13 2.04  .0047  .0019  .0222      0  .0060      0
KAm   .04458     .5 .09785  .022 2.04  .0047  .0019  .0222      0  .0060      0
CaA2       0 .47231      0  .006 2.87  .0103  .0005  .0549      0  .0206      0
NaA2       0 .47231      0   .13 2.87  .0103  .0005  .0549      0  .0206      0
KA2        0 .47231      0  .022 2.87  .0103  .0005  .0549      0  .0206      0
MgM1       0 .08840     .5   .95  .48  .0016  .0004  .0042      0  .0010      0
AlM1       0 .08840     .5  .012  .48  .0016  .0004  .0042      0  .0010      0
TiM1       0 .08840     .5  .002  .48  .0016  .0004  .0042      0  .0010      0
FeM1       0 .08840     .5  .036  .48  .0016  .0004  .0042      0  .0010      0
MnM1       0 .08840     .5  .002  .48  .0016  .0004  .0042      0  .0010      0
MgM2       0 .17610      0   .95  .43  .0013  .0003  .0043      0  .0009      0
AlM2       0 .17610      0  .012  .43  .0013  .0003  .0043      0  .0009      0
TiM2       0 .17610      0  .002  .43  .0013  .0003  .0043      0  .0009      0
FeM2       0 .17610      0  .036  .43  .0013  .0003  .0043      0  .0009      0
MnM2       0 .17610      0  .002  .43  .0013  .0003  .0043      0  .0009      0
MgM3       0      0      0   .95  .48  .0015  .0003  .0046      0  .0007      0
AlM3       0      0      0  .012  .48  .0015  .0003  .0046      0  .0007      0
TiM3       0      0      0  .002  .48  .0015  .0003  .0046      0  .0007      0
FeM3       0      0      0  .036  .48  .0015  .0003  .0046      0  .0007      0
MnM3       0      0      0  .002  .48  .0015  .0003  .0046      0  .0007      0
CaM4       0 .27840     .5 .4975  .73  .0026  .0005  .0083      0  .0029      0
CaM4'      0 .25650     .5 .4975  .40  .3981      0      0      0      0      0
SiT1  .28028 .08445 .29996 .8863  .39  .0010  .0003  .0039      0  .0005      0
AlT1  .28028 .08445 .29996 .1137  .39  .0010  .0003  .0039      0  .0005      0
SiT2  .28905 .17190 .80750 .8863  .40  .0011  .0003  .0039 -.0001  .0007      0
AlT2  .28905 .17190 .80750 .1137  .40  .0011  .0003  .0039 -.0001  .0007      0
O1    .10980 .08556 .21899        .52  .0014  .0004  .0048 -.0001  .0007 -.0001
O2    .11931 .17125 .72617        .53  .0011  .0005  .0052      0  .0007      0
O3    .10653      0 .71504   .43  .77  .0022  .0006  .0078      0  .0014      0
F3    .10653      0 .71504   .57  .77  .0022  .0006  .0078      0  .0014      0
Cl3   .10653      0 .71504  .005  .77  .0022  .0006  .0078      0  .0014      0
O4    .36476 .24882 .79029        .73  .0022  .0005  .0078 -.0003  .0017 -.0002
O5    .34799 .13643 .10432        .82  .0017  .0009  .0066      0  .0005  .0008
O6    .34494 .11723 .59980        .77  .0016  .0007  .0079      0  .0011 -.0007
O7    .34091      0 .28617        .95  .0022  .0005  .0128      0  .0008      0
H     .19406      0 .77619   .43 1.00 1.0000      0      0      0      0      0
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Fluoro-edenite
 
Della Ventura G, Bellatreccia F, Camara F, Oberti R
 
Mineralogical Magazine 78 (2014) 293-310
Crystal-chemistry and short-range order of fluoro-edenite and fluoro-pargasite:
a combined X-ray diffraction and FTIR spectroscopic approach
Note: Sample G405
Locality: Franklin Quarry, Franklin, New Jersey, USA
_database_code_amcsd 0020433
9.866 17.987 5.2817 90 105.16 90 C2/m
atom      x      y      z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
NaA       0     .5      0 .142 1.31  .0035  .0013  .0110      0  .0029      0
KA        0     .5      0  .04 1.31  .0035  .0013  .0110      0  .0029      0
NaAm .04096     .5 .09011 .142 1.79  .0035  .0020  .0158      0  .0037      0
KAm  .04096     .5 .09011  .04 1.79  .0035  .0020  .0158      0  .0037      0
NaA2      0 .47381      0 .142 2.80  .0081  .0009  .0544      0  .0185      0
KA2       0 .47381      0  .04 2.80  .0081  .0009  .0544      0  .0185      0
MgM1      0 .08891     .5 .876  .54  .0016  .0004  .0053      0  .0012      0
AlM1      0 .08891     .5 .072  .54  .0016  .0004  .0053      0  .0012      0
TiM1      0 .08891     .5 .002  .54  .0016  .0004  .0053      0  .0012      0
ZnM1      0 .08891     .5 .002  .54  .0016  .0004  .0053      0  .0012      0
FeM1      0 .08891     .5  .04  .54  .0016  .0004  .0053      0  .0012      0
MgM2      0 .17599      0 .876  .48  .0014  .0003  .0051      0  .0010      0
AlM2      0 .17599      0 .072  .48  .0014  .0003  .0051      0  .0010      0
TiM2      0 .17599      0 .002  .48  .0014  .0003  .0051      0  .0010      0
ZnM2      0 .17599      0 .002  .48  .0014  .0003  .0051      0  .0010      0
FeM2      0 .17599      0  .04  .48  .0014  .0003  .0051      0  .0010      0
MgM3      0      0      0 .876  .56  .0017  .0004  .0051      0  .0007      0
AlM3      0      0      0 .072  .56  .0017  .0004  .0051      0  .0007      0
TiM3      0      0      0 .002  .56  .0017  .0004  .0051      0  .0007      0
ZnM3      0      0      0 .002  .56  .0017  .0004  .0051      0  .0007      0
FeM3      0      0      0  .04  .56  .0017  .0004  .0051      0  .0007      0
CaM4      0 .27890     .5 .985  .77  .0025  .0005  .0088      0  .0027      0
NaM4      0 .27890     .5 .015  .77  .0025  .0005  .0088      0  .0027      0
SiT1 .28035 .08485 .30195  .85  .45  .0011  .0004  .0048      0  .0006      0
AlT1 .28035 .08485 .30195  .15  .45  .0011  .0004  .0048      0  .0006      0
SiT2 .28958 .17255 .81030  .85  .47  .0012  .0004  .0048      0  .0009  .0001
AlT2 .28958 .17255 .81030  .15  .47  .0012  .0004  .0048      0  .0009  .0001
O1   .10841 .08626 .21841       .65  .0016  .0006  .0060 -.0002  .0012 -.0002
O2   .11929 .17170 .72925       .64  .0013  .0005  .0076      0  .0009  .0001
O3   .10541      0 .71403 .265  .83  .0024  .0006  .0084      0  .0016      0
F3   .10541      0 .71403  .73  .83  .0024  .0006  .0084      0  .0016      0
Cl3  .10541      0 .71403 .005  .83  .0024  .0006  .0084      0  .0016      0
O4   .36519 .24981 .79128       .81  .0025  .0006  .0090 -.0002  .0024 -.0002
O5   .34897 .13769 .10746       .92  .0018  .0010  .0078  .0001  .0007  .0011
O6   .34497 .11765 .60348       .86  .0019  .0007  .0095      0  .0013 -.0008
O7   .34135      0 .28689      1.06  .0022  .0007  .0138      0  .0007      0
H    .17242      0 .77762 .265 1.00 1.0000      0      0      0      0      0
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Wavellite
Download hom/wavellite.pdf
Capitelli F, Della Ventura G, Bellatreccia F, Sodo A,
Saviano M, Ghiara M R, Rossi M
 
Mineralogical Magazine 78 (2014) 1057-1070
Crystal-chemical study of wavellite from Zbirov, Czech Republic
Locality: Zbirov, Bohemia, Czech Republic
_database_code_amcsd 0020531
9.6422 17.4146 7.0094 90 90 90 Pcmn
atom       x      y      z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Al1   .22502    .25 .11911     .00974  .0112  .0098  .0082       0  -.0008       0
Al2   .75616 .01635 .14187     .00775  .0082  .0094  .0057  .00003  .00032  .00030
P1    .06085 .09214 .10391     .00734  .0072  .0077  .0071 -.00039 -.00006 -.00049
O1    .90402 .08397 .06528      .0101  .0079  .0130  .0093  -.0011  -.0008   .0021
O2    .09039 .17630 .15711      .0160  .0162  .0109  .0209  -.0036   .0054  -.0054
O3    .10073 .04106 .27381      .0120  .0102  .0169  .0089   .0022  -.0005   .0033
O4    .35920 .07188 .42091      .0107  .0126  .0102  .0092  -.0018  -.0016   .0007
O5    .28790    .25  .3630 .47  .0252  .0256  .0394  .0106       0  -.0047       0
F5    .28790    .25  .3630 .53  .0252  .0256  .0394  .0106       0  -.0047       0
O6    .82065 .01802 .39536      .0109  .0084  .0174  .0068  -.0009   .0004   .0004
O7    .37150 .17066  .0839      .0268  .0210  .0260  .0333   .0054  -.0042  -.0057
O8    .65041 .11101 .19903      .0146  .0162  .0148  .0128   .0036   .0023   .0014
Wat9   .8092    .25   .232 .54   .052   .042   .036   .078       0    .006       0
Wat10  .7813    .25   .110 .56   .058   .067   .028   .078       0    .022       0
H5      .385    .25    .34 .47   .128
H6     .9158  .0287   .390       .046
H71     .383   .139   .193        .15
H72     .368   .153  -.043       .110
H81     .630  .1071  .3296       .048
H82     .705  .1550   .180       .107
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