|
Richterite |
 |
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C |
 |
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
|
|   |
|
Richterite |
 |
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C |
 |
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
|
|   |
|
Richterite |
 |
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C |
 |
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
|
|   |
|
Richterite |
 |
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C |
 |
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
|
|   |
|
Richterite |
 |
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C |
 |
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
|
|   |
|
Richterite |
 |
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C |
 |
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
|
|   |
|
Richterite |
 |
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C |
 |
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
|
|   |
|
Richterite |
 |
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C |
 |
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
|
|   |
|
Richterite |
 |
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C |
 |
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
|
|   |
|
Richterite |
 |
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C |
 |
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
|
|   |
|
Richterite |
 |
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C |
 |
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
|
|   |
|
Richterite |
 |
Della Ventura G, Robert J-L, Beny J-M, Raudsepp M, Hawthorne F C |
 |
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
|
|   |
|
Richterite |
 |
Della Ventura G, Robert J-L, Beny J-M, Raudsepp M, Hawthorne F C |
 |
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
|
|   |
|
Richterite |
 |
Della Ventura G, Robert J-L, Beny J-M, Raudsepp M, Hawthorne F C |
 |
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
|
|   |
|
Richterite |
 |
Della Ventura G, Robert J-L, Beny J-M, Raudsepp M, Hawthorne F C |
 |
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
|
|   |
|
Richterite |
 |
Della Ventura G, Robert J-L, Beny J-M, Raudsepp M, Hawthorne F C |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Richterite |
 |
Della Ventura G, Robert J-L, Beny J-M, Raudsepp M, Hawthorne F C |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Richterite |
 |
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Richterite |
 |
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Richterite |
 |
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Richterite |
 |
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D |
 |
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Richterite |
 |
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Richterite |
 |
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Richterite |
 |
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Richterite |
 |
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Richterite |
 |
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D |
 |
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Richterite |
 |
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Richterite |
 |
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Richterite |
 |
Hawthorne F C, Della Ventura G, Robert J-L, Welch M D, Jenkins D M |
 |
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Richterite |
 |
Hawthorne F C, Della Ventura G, Robert J-L, Welch M D, Jenkins D M |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Richterite |
 |
Hawthorne F C, Della Ventura G, Robert J-L, Welch M D, Jenkins D M |
 |
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Richterite |
 |
Hawthorne F C, Della Ventura G, Robert J-L, Welch M D, Jenkins D M |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Richterite |
 |
Hawthorne F C, Della Ventura G, Robert J-L, Welch M D, Jenkins D M |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Hellandite-(Ce) |
| |
Oberti R, Ottolini L, Camara F, Della Ventura G |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluorbritholite-(Ce) |
| |
Oberti R, Ottolini L, Della Ventura G, Parodi G C |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluorbritholite-(Ce) |
| |
Oberti R, Ottolini L, Della Ventura G, Parodi G C |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Mottanaite-(Ce) |
| |
Della Ventura G, Bonazzi P, Oberti R, Ottolini L |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ciprianiite |
| |
Della Ventura G, Bonazzi P, Oberti R, Ottolini L |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Na(NaMg)Mg5Si8O22(OH)2 |
| |
Iezzi G, Della Ventura G, Oberti R, Camara F, Holtz F |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
NaNa2Mg5Si8O21(OH)3 |
| |
Camara F, Oberti R, Della Ventura G, Welch M D, Maresch W V |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Parvo-mangano-edenite |
| |
Oberti R, Camara F, Della Ventura G, Iezzi G, Benimoff A I |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Parvo-manganotremolite |
| |
Oberti R, Camara F, Della Ventura G, Iezzi G, Benimoff A I |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Parvo-mangano-edenite |
| |
Oberti R, Camara F, Della Ventura G, Iezzi G, Benimoff A I |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Vishnevite |
 |
Della Ventura G, Bellatreccia F, Parodi G C, Camara F, Piccinini M |
| |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fantappieite |
| |
Camara F, Bellatreccia F, Della Ventura G, Mottana A, Bindi L, |
|
Gunter M E, Sebastiani M |
| |
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
|
|   |
|
Pargasite |
 |
Tait K T, Hawthorne F C, Della Ventura G |
 |
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Chevkinite-(Ce) |
 |
Sokolova E V, Hawthorne F C, Della Ventura G, Kartashov P M |
 |
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Chevkinite-(Ce) |
 |
Sokolova E V, Hawthorne F C, Della Ventura G, Kartashov P M |
 |
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Chevkinite-(Ce) |
 |
Sokolova E V, Hawthorne F C, Della Ventura G, Kartashov P M |
 |
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Chevkinite-(Ce) |
 |
Sokolova E V, Hawthorne F C, Della Ventura G, Kartashov P M |
 |
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 |
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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 |
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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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|
|   |
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Wiluite |
| |
Bellatreccia F, Camara F, Ottolini L, Della Ventura G, Cibin G, Mottana A |
 |
The Canadian Mineralogist 43 (2005) 1457-1468 |
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Wiluite from Ariccia, Latium, Italy: Occurrence and crystal structure |
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Locality: Ariccia, Latium, Italy |
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_database_code_amcsd 0006057 |
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15.716 15.716 11.704 90 90 90 *P4/nnc |
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.25 .25 .25 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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CaX1 .75 .25 .25 .0092 .0137 .0080 .0058 0 0 0 |
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CaX2 -.19038 .04495 .37987 .97875 .0101 .0096 .0119 .0087 .0016 -.0011 .0001 |
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MgX2 -.19038 .04495 .37987 .01875 .0101 .0096 .0119 .0087 .0016 -.0011 .0001 |
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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 |
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CaX4 .75 .75 .14318 .5 .0105 .0087 .0087 .0142 0 0 0 |
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Fe3+Y1 .75 .75 .05586 .18 .0188 .0102 .0102 .0359 0 0 0 |
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TiY1 .75 .75 .05586 .135 .0188 .0102 .0102 .0359 0 0 0 |
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MgY1 .75 .75 .05586 .13 .0188 .0102 .0102 .0359 0 0 0 |
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MnY1 .75 .75 .05586 .055 .0188 .0102 .0102 .0359 0 0 0 |
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AlY2 0 0 0 .9175 .0091 .0076 .0078 .0118 .0005 -.0002 -.0009 |
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Fe3+Y2 0 0 0 .0475 .0091 .0076 .0078 .0118 .0005 -.0002 -.0009 |
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MgY2 0 0 0 .035 .0091 .0076 .0078 .0118 .0005 -.0002 -.0009 |
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MgY3 -.11165 .12018 .12789 .41875 .0094 .0101 .0100 .0081 .0007 .0004 -.0004 |
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AlY3 -.11165 .12018 .12789 .41125 .0094 .0101 .0100 .0081 .0007 .0004 -.0004 |
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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 |
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AlT1 .05304 .05304 .25 .005 .0183 .0217 .0217 .0115 -.0066 -.0089 .0089 |
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BeT1 .05304 .05304 .25 .005 .0183 .0217 .0217 .0115 -.0066 -.0089 .0089 |
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HT1 .05304 .05304 .25 .1175 .0183 .0217 .0217 .0115 -.0066 -.0089 .0089 |
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BT2 .25 .25 .25 .68 .0100 |
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HT2 .25 .25 .2070 .16 .0200 |
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SiZ1 .75 .25 0 .0069 .0075 .0075 .0056 0 0 0 |
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SiZ2 -.17859 .04304 .87208 .0099 .0096 .0129 .0073 .0017 -.0006 .0018 |
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SiZ3 -.08389 -.15020 .36491 .0079 .0099 .0070 .0070 .0014 .0006 .0003 |
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O1 -.21994 .17280 .08462 .0107 .0140 .0092 .0090 .0000 -.0005 .0008 |
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O2 -.12070 .16054 .28284 .0127 .0166 .0102 .0113 -.0002 -.0046 .0014 |
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O3 -.04282 .22472 .07802 .0133 .0173 .0126 .0101 .0056 .0029 .0020 |
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O4 -.06177 .10461 .47133 .0103 .0122 .0097 .0091 .0004 -.0018 .0008 |
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O5 -.17148 .01169 .17953 .0117 .0119 .0131 .0101 .0048 .0004 -.0014 |
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O6 -.12105 -.27629 .05351 .0148 .0190 .0122 .0133 .0021 .0023 .0053 |
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O7A .05565 .1760 .3201 .5 .0102 |
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O7B .0445 .1466 .3069 .5 .0172 |
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O8 -.06037 -.09201 .06654 .0099 .0089 .0093 .0114 .0018 .0017 -.0003 |
|
O9 -.14607 -.14607 .25 .0124 .0136 .0136 .0099 -.0018 -.0015 .0015 |
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O10 .75 .75 .8700 .66 .0305 .0317 .0317 .0279 0 0 0 |
|
O11A -.0030 .0628 .1351 .48438 .0079 |
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O11B -.0013 .0536 .1543 .36438 .0109 |
|
F11B -.0013 .0536 .1543 .15124 .0109 |
|
O12 .1772 .2733 .2044 .34 .0263 |
|
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|   |
|
Vlasovite |
 |
Sokolova E, Hawthorne F C, Ball N A, Mitchell R H, Della Ventura G |
 |
The Canadian Mineralogist 44 (2006) 1349-1356 |
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Vlasovite, Na2Zr(Si4O11), from the Kipawa alkaline complex, Quebec, Canada: |
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Crystal-structure refinement and infrared spectroscopy |
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Locality: Kipawa alkaline complex, Quebec, Canada |
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_database_code_amcsd 0006128 |
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11.0390 10.0980 8.5677 90 100.313 90 C2/c |
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atom x y z Uiso occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na1 0 .07593 .75 .0304 .0406 .0229 .0308 0 .0151 0 |
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Na2A 0 .3985 .75 .0448 .82 .0265 .0312 .068 0 -.0140 0 |
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Na2B .9851 .4308 .834 .0448 .09 .0265 .0312 .068 0 -.0140 0 |
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Zr .25 .25 0 .01173 .01314 .01159 .01088 .00069 .00323 -.00015 |
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Si1 .26448 .07231 .63875 .01306 .0143 .0123 .0126 .00067 .00227 -.00110 |
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Si2 .04996 .21676 .42721 .01386 .0120 .0161 .0135 .00001 .00238 -.00019 |
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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 |
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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 |
 |
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 |
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MgM1 0 .0895 .5 .6 |
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MgM2 0 .1798 0 .6 |
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MgM3 0 0 0 .6 |
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NaM4 0 .2761 .5 .5 .9 |
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CaM4 0 .2761 .5 .5 .9 |
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SiT1 .2761 .0859 .3013 .4 |
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SiT2 .2843 .1710 .8024 .4 |
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O1 .1079 .0880 .2149 .8 |
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O2 .1136 .1716 .7176 .8 |
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OH3 .1078 0 .7236 .8 |
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O4 .3542 .2486 .7854 .8 |
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O5 .3345 .1300 .0945 1.1 |
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O6 .3399 .1159 .6030 1.1 |
|
O7 .3271 0 .3072 1.2 |
|
|
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|
|   |
|
Richterite |
 |
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 |
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10.1063 18.056 5.2717 90 105.168 90 C2/m |
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atom x y z occ Biso |
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KA .0183 .5 .0304 .5 2.3 |
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MgM1 0 .0900 .5 .6 |
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MgM2 0 .1808 0 .6 |
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MgM3 0 0 0 .6 |
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NaM4 0 .2778 .5 .5 .9 |
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CaM4 0 .2778 .5 .25 .9 |
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SrM4 0 .2778 .5 .25 .4 |
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SiT1 .2735 .0854 .3046 .4 |
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SiT2 .2842 .1708 .8042 .8 |
|
O1 .1026 .0888 .2143 .8 |
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O2 .1150 .1705 .7215 .8 |
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OH3 .1061 0 .7291 .8 |
|
O4 .3538 .2479 .8008 1.1 |
|
O5 .3381 .1298 .0999 1.1 |
|
O6 .3346 .1137 .5963 1.2 |
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O7 .3275 0 .2998 |
|
|
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|
|   |
|
Richterite |
 |
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 |
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KA .0127 .5 .0228 .5 2.3 |
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MgM1 0 .0898 .5 .6 |
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MgM2 0 .1799 0 .6 |
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MgM3 0 0 0 .6 |
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NaM4 0 .2804 .5 .5 .9 |
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SrM4 0 .2804 .5 .5 .9 |
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SiT1 .2717 .0848 .3071 .4 |
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SiT2 .2840 .1709 .8115 .4 |
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O1 .1025 .0876 .2185 .8 |
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O2 .1172 .1696 .7268 .8 |
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OH3 .1085 0 .7188 .8 |
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O4 .3557 .2468 .8013 .8 |
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O5 .3372 .1282 .1054 1.1 |
|
O6 .3351 .1136 .6052 1.1 |
|
O7 .3275 0 .3100 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
|
|   |
|
Farneseite |
| |
Camara F, Bellatreccia F, Della Ventura G, Mottana A |
| |
European Journal of Mineralogy 17 (2005) 839-846 |
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Farneseite, a new mineral of the cancrinite - sodalite group |
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with a 14-layer stacking sequence: occurence and crystal structure |
|
Locality: Latera Caldera, Farnese, Viterbo Province, Italy |
|
_database_code_amcsd 0007136 |
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12.8784 12.8784 37.0078 90 90 120 P6_3/m |
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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 |
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Ca1A .5054 .0070 .3927 .220 .014 .011 .022 .015 .011 -.002 -.004 |
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Na1B .5240 .0470 .3887 .158 .030 .028 .026 .039 .014 .000 .002 |
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Ca1B .5240 .0470 .3887 .074 .030 .028 .026 .039 .014 .000 .002 |
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Na1C .4760 -.0580 .4015 .055 .039 .042 .080 .017 .050 -.010 -.011 |
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Ca1C .4760 -.0580 .4015 .026 .039 .042 .080 .017 .050 -.010 -.011 |
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Na2A 1/3 2/3 .3036 .123 .104 .017 .017 .280 .009 0 0 |
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Ca2A 1/3 2/3 .3036 .070 .104 .017 .017 .280 .009 0 0 |
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Na2B 1/3 2/3 .3479 .230 .050 .038 .038 .074 .019 0 0 |
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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 |
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Na3B .5970 -.2044 .4543 .213 .043 .072 .036 .031 .035 .022 .018 |
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Ca3B .5970 -.2044 .4543 .012 .043 .072 .036 .031 .035 .022 .018 |
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Na3C .7360 -.1318 .4718 .324 .036 .044 .033 .034 .022 .007 .007 |
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Ca3C .7360 -.1318 .4718 .018 .036 .044 .033 .034 .022 .007 .007 |
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Na4A 0 0 .3832 .105 .029 |
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Na4B 0 0 .4144 .805 .057 .028 .028 .114 .014 0 0 |
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Na5A 0 0 .25 .078 .011 |
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Ca5A 0 0 .25 .076 .011 |
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Na5B 0 0 .2652 .151 .038 .029 .029 .058 .014 0 0 |
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Ca5B 0 0 .2652 .147 .038 .029 .029 .058 .014 0 0 |
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Na6 .5143 .0227 .25 .94 .035 .021 .046 .042 .020 0 0 |
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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 |
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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 |
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Al3 .5897 -.0868 .3213 .011 .010 .011 .014 .007 .000 .000 |
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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 |
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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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Phlogopite |
 |
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 |
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Sample: SA1-3 |
|
_database_code_amcsd 0007151 |
|
5.337 9.239 10.237 90 100.030 90 C2/m |
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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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Phlogopite |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Phlogopite |
 |
Scordari F, Ventruti G, Sabato A, Bellatreccia F, Della Ventura G, Pedrazzi G |
| |
European Journal of Mineralogy 18 (2006) 379-391 |
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Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical, |
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approach: substitutional mechanisms and orientation of the OH dipoles |
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Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy |
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Sample: SA1-9 |
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_database_code_amcsd 0007153 |
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5.337 9.238 10.228 90 100.050 90 C2/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K 0 .5 0 1.0170 .0309 .0320 .0305 .0302 0 .0054 0 |
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Mg1 0 0 .5 .7403 .0095 .0091 .0069 .0128 0 .0035 0 |
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Fe1 0 0 .5 .2589 .0095 .0091 .0069 .0128 0 .0035 0 |
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Mg2 0 .33610 .5 .7256 .0107 .00755 .01274 .0117 0 .00109 0 |
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Fe2 0 .33610 .5 .2742 .0107 .00755 .01274 .0117 0 .00109 0 |
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Si .07503 .16690 .22570 .0091 .00903 .00808 .01012 .00009 .00158 .00019 |
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O1 .3299 .22619 .16852 .0184 .0178 .0232 .0150 -.0063 .0049 -.0033 |
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O2 .0087 0 .16952 .0185 .0261 .0133 .0146 0 -.0004 0 |
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O3 .13035 .16764 .39156 .0110 .0109 .0109 .0113 .0004 .0022 .0003 |
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O4 .1324 .5 .39905 .0119 .0122 .0133 .0100 0 .0012 0 |
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H .114 .5 .317 .6806 .0119 .0122 .0133 .0100 0 .0012 0 |
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Phlogopite |
 |
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 |
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Sample: SA1-51 |
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_database_code_amcsd 0007154 |
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5.336 9.236 10.223 90 100.058 90 C2/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K 0 .5 0 1.0451 .0301 .0305 .0306 .0292 0 .00536 0 |
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Mg1 0 0 .5 .7249 .0098 .00893 .00821 .01293 0 .00364 0 |
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Fe1 0 0 .5 .2736 .0098 .00893 .00821 .01293 0 .00364 0 |
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Mg2 0 .33579 .5 .7235 .0108 .00721 .01362 .01140 0 .00130 0 |
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Fe2 0 .33579 .5 .2760 .0108 .00721 .01362 .01140 0 .00130 0 |
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Si .07504 .16693 .22557 .0090 .00835 .00903 .00963 .00000 .00167 .00014 |
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O1 .32969 .22605 .16825 .0190 .0175 .0249 .0153 -.0067 .00448 -.0035 |
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O2 .0083 0 .16922 .0190 .0266 .0138 .0149 0 -.0007 0 |
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O3 .13067 .16769 .39140 .0111 .01136 .01192 .01001 .00027 .00159 .00010 |
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O4 .13192 .5 .39899 .0126 .0122 .0147 .0107 0 .0018 0 |
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H .112 .5 .331 .6949 .0126 .0122 .0147 .0107 0 .0018 0 |
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|   |
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Phlogopite |
 |
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 |
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_database_code_amcsd 0007155 |
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5.335 9.242 10.231 90 100.001 90 C2/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K 0 .5 0 1.0091 .0315 .0313 .0321 .0316 0 .0068 0 |
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Mg1 0 0 .5 .7370 .0107 .0096 .0084 .0148 0 .0042 0 |
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Fe1 0 0 .5 .2625 .0107 .0096 .0084 .0148 0 .0042 0 |
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Mg2 0 .33530 .5 .7303 .0116 .0081 .0132 .0137 0 .0022 0 |
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Fe2 0 .33530 .5 .2696 .0116 .0081 .0132 .0137 0 .0022 0 |
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Si .07514 .16686 .22597 .0103 .00939 .00923 .0125 -.0001 .00268 .0000 |
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O1 .3301 .22632 .16888 .0201 .0182 .0246 .0181 -.0053 .0054 -.0034 |
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O2 .0084 0 .1697 .0197 .0257 .0152 .0172 0 .0004 0 |
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O3 .1306 .16728 .39175 .0121 .0122 .0114 .0129 -.0001 .0024 -.0006 |
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O4 .1317 .5 .39840 .0125 .0118 .0133 .0125 0 .0025 0 |
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H .113 .5 .317 .7015 .0125 .0118 .0133 .0125 0 .0025 0 |
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|
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Na2Mg6Si8O22(OH)2 |
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Camara F, Oberti R, Iezzi G, Della Ventura G |
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Physics and Chemistry of Minerals 30 (2003) 570-581 |
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The P2_1/m - C2/m phase transition in synthetic amphibole |
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Na NaMg Mg5 Si8 O22 (OH)2: thermodynamic and crystal-chemical evaluation |
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Sample: T = ambient |
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_database_code_amcsd 0008832 |
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9.685 17.920 5.268 90 102.44 90 P2_1/m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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NaA .2658 .25 .0456 .81 3.83 .0063 .0044 .0414 0 .0130 0 |
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Mg1 -.2500 .3382 .4847 .64 .0023 .0005 .0048 0 .0008 -.0001 |
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Mg2 -.2501 .4295 .9838 .65 .0021 .0004 .0063 0 .0010 .0002 |
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Mg3 -.2496 .25 .9858 .61 .0021 .0004 .0050 0 .0004 0 |
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Mg4 -.2468 .5065 .4812 .595 .80 .0024 .0007 .0072 0 .0027 .0002 |
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Na4' -.2606 .5209 .4797 .405 1.46 |
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Si1A .0324 .3355 .2616 .50 .0017 .0004 .0043 -.0001 .0005 -.0001 |
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Si1B .5320 .8344 .2951 .49 .0017 .0004 .0037 0 .0006 .0001 |
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Si2A .0407 .4215 .7678 .52 .0017 .0004 .0041 -.0001 .0005 -.0001 |
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Si2B .5441 .9195 .7991 .60 .0020 .0005 .0046 -.0003 .0004 .0002 |
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O1A -.1368 .3365 .1970 .59 .0019 .0005 .0048 -.0001 .0007 -.0002 |
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O1B .3629 .8367 .2257 .58 .0018 .0005 .0046 0 .0006 0 |
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O2A -.1300 .4215 .7021 .72 .0018 .0007 .0062 -.0001 .0010 -.0005 |
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O2B .3735 .9219 .7355 .77 .0025 .0007 .0050 -.0001 .0008 -.0003 |
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O3A -.1398 .25 .6937 .68 .0022 .0005 .0058 0 .0007 0 |
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O3B .3576 .75 .7219 .71 .0017 .0006 .0071 0 .0009 0 |
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O4A .1199 .4990 .7951 1.08 .0042 .0005 .0093 -.0006 -.0007 -.0002 |
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O4B .6260 .9938 .7662 1.86 .0066 .0011 .0127 -.0017 -.0039 .0018 |
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O5A .0965 .3676 .0237 .95 .0024 .0010 .0074 .0001 .0013 .0012 |
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O5B .6000 .8852 .0970 .90 .0023 .0008 .0076 -.0002 .0009 .0009 |
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O6A .0996 .3802 .5269 1.00 .0023 .0010 .0082 .0003 0 -.0017 |
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O6B .5928 .8578 .5969 1.01 .0023 .0012 .0059 .0002 .0003 -.0011 |
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O7A .0922 .25 .3006 .86 .0024 .0004 .0116 0 .0012 0 |
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O7B .5896 .75 .2607 .87 .0021 .0004 .0136 0 .0019 0 |
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H1 -.056 .25 .727 3.86 |
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H2 .561 .25 .246 2.21 |
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|
|   |
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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 |
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Sample: T = 140 C |
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_database_code_amcsd 0008833 |
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9.706 17.986 5.286 90 102.37 90 P2_1/m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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NaA .2707 .25 .0444 .81 3.83 .0063 .0044 .0414 0 .0130 0 |
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Mg1 -.2485 .3382 .4908 .64 .0023 .0005 .0048 0 .0008 -.0001 |
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Mg2 -.2503 .4296 .9829 .65 .0021 .0004 .0063 0 .0010 .0002 |
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Mg3 -.2533 .25 .9898 .61 .0021 .0004 .0050 0 .0004 0 |
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Mg4 -.2406 .5059 .4925 .595 .80 .0024 .0007 .0072 0 .0027 .0002 |
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Na4' -.2593 .5228 .4710 .405 1.46 |
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Si1A .0323 .3359 .2645 .50 .0017 .0004 .0043 -.0001 .0005 -.0001 |
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Si1B .5306 .8343 .2894 .49 .0017 .0004 .0037 0 .0006 .0001 |
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Si2A .0401 .4216 .7722 .52 .0017 .0004 .0041 -.0001 .0005 -.0001 |
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Si2B .5446 .9195 .7963 .60 .0020 .0005 .0046 -.0003 .0004 .0002 |
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O1A -.1388 .3357 .1957 .59 .0019 .0005 .0048 -.0001 .0007 -.0002 |
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O1B -.1278 .4211 .7126 .58 .0018 .0005 .0046 0 .0006 0 |
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O2A .3651 .8370 .2278 .72 .0018 .0007 .0062 -.0001 .0010 -.0005 |
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O2B .3701 .9216 .7263 .77 .0025 .0007 .0050 -.0001 .0008 -.0003 |
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OH3A -.1361 .25 .6983 .68 .0022 .0005 .0058 0 .0007 0 |
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OH3B .3551 .75 .7236 .71 .0017 .0006 .0071 0 .0009 0 |
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O4A .1246 .4986 .7891 1.08 .0042 .0005 .0093 -.0006 -.0007 -.0002 |
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O4B .6204 .9947 .7724 1.86 .0066 .0011 .0127 -.0017 -.0039 .0018 |
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O5A .0961 .3692 .0319 .95 .0024 .0010 .0074 .0001 .0013 .0012 |
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O5B .5987 .8833 .0878 .90 .0023 .0008 .0076 -.0002 .0009 .0009 |
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O6A .0985 .3777 .5357 1.00 .0023 .0010 .0082 .0003 0 -.0017 |
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O6B .5943 .8586 .5877 1.01 .0023 .0012 .0059 .0002 .0003 -.0011 |
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O7A .0942 .25 .3001 .86 .0024 .0004 .0116 0 .0012 0 |
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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 |
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_database_code_amcsd 0008834 |
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9.723 18.027 5.301 90 102.26 90 C2/m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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NaA 0 .5 0 .31 2.27 .0027 .0041 .0027 0 -.0022 0 |
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NaAm .0259 .5 .0914 .25 2.76 .0050 .0036 .0213 0 .0071 0 |
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Mg1 0 .0883 .5 .85 .0031 .0010 .0022 0 .0020 0 |
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Mg2 0 .1795 0 1.11 .0038 .0006 .0114 0 .0022 0 |
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Mg3 0 0 0 .87 .0017 .0004 .0117 0 -.0013 0 |
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Mg4 0 .2620 .5 .595 2.54 .0078 .0030 .0133 0 .0085 0 |
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Na4 0 .2620 .5 .405 2.54 .0078 .0030 .0133 0 .0085 0 |
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Si1 .2810 .0850 .2759 .65 .0025 .0005 .0038 .0002 .0014 0 |
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Si2 .2924 .1707 .7833 .84 .0023 .0007 .0075 -.0002 .0009 .0003 |
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O1 .1126 .0863 .2117 .86 .0016 .0009 .0080 -.0003 .0012 .0001 |
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O2 .1221 .1718 .7191 1.14 .0041 .0011 .0055 -.0004 .0019 .0001 |
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O3 .1088 0 .7058 1.10 .0030 .0007 .0119 0 .0014 0 |
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O4 .3714 .2469 .7798 1.80 .0052 .0011 .0162 -.0012 -.0019 .0004 |
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O5 .3467 .1266 .0588 1.56 .0038 .0018 .0105 .0001 .0028 .0024 |
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O6 .3456 .1191 .5591 1.70 .0032 .0024 .0058 .0006 -.0007 -.0029 |
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O7 .3393 0 .2782 1.64 .0059 .0004 .0230 0 .0049 0 |
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H .195 0 .767 .01 |
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|
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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 |
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9.737 18.049 5.303 90 102.22 90 C2/m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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NaA 0 .5 0 .31 2.64 .0045 .0043 .0031 0 -.0028 0 |
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NaAm .0340 .5 .1132 .25 3.21 .0070 .0041 .0144 0 .0002 0 |
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Mg1 0 .0882 .5 1.14 .0049 .0012 .0035 0 .0041 0 |
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Mg2 0 .1801 0 1.37 .0035 .0009 .0151 0 .0012 0 |
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Mg3 0 0 0 1.59 .0053 .0003 .0207 0 .0001 0 |
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Mg4 0 .2617 .5 .595 2.36 .0058 .0031 .0127 0 .0076 0 |
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Na4 0 .2617 .5 .405 2.36 .0058 .0031 .0127 0 .0076 0 |
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Si1 .2812 .0850 .2756 .80 .0023 .0008 .0056 -.0001 .0012 .0001 |
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Si2 .2917 .1707 .7826 .97 .0037 .0007 .0067 -.0003 .0013 .0001 |
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O1 .1133 .0862 .2098 .93 .0020 .0009 .0102 0 .0036 -.0001 |
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O2 .1218 .1722 .7198 1.44 .0052 .0011 .0071 -.0005 -.0020 -.0005 |
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O3 .1090 0 .7091 1.79 .0057 .0006 .0225 0 .0022 0 |
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O4 .3728 .2467 .7846 2.04 .0069 .0015 .0128 -.0012 -.0008 .0006 |
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O5 .3466 .1263 .0572 1.85 .0056 .0021 .0083 -.0001 .0029 .0026 |
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O6 .3445 .1193 .5583 1.98 .0032 .0025 .0143 .0005 .0010 -.0029 |
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O7 .3389 0 .2758 1.70 .0031 .0011 .0245 0 .0026 0 |
|
H .177 0 .733 2.84 |
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|
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Ferri-clinoholmquistite |
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Iezzi G, Camara F, Della Ventura G, Oberti R, Pedrazzi G, Robert J-L |
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Physics and Chemistry of Minerals 31 (2004) 375-385 |
|
Synthesis, crystal structure and crystal chemistry of ferri-clinoholmquistite, |
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_Li2Mg3Fe3+2Si8O22(OH)2 |
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Sample: 152 |
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_database_code_amcsd 0008866 |
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9.466 17.970 5.288 90 101.84 90 C2/m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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LiA2 0 .44 .5 .10 |
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Mg1 0 .0883 .5 .80 1.0 .0028 .0002 .0174 0 .0020 0 |
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Fe2+1 0 .0883 .5 .20 1.0 .0028 .0002 .0174 0 .0020 0 |
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Fe3+2 0 .1811 0 .52 .6 .0027 .0002 .0067 0 .0015 0 |
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Mg2 0 .1811 0 .48 .6 .0027 .0002 .0067 0 .0015 0 |
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Mg3 0 0 0 .80 .5 .0026 .0003 .0031 0 .0005 0 |
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Fe2+3 0 0 0 .20 .5 .0026 .0003 .0031 0 .0005 0 |
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Li4 0 .2566 .5 .63 1.5 .0035 .0008 .0227 0 .0044 0 |
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Fe2+4 0 .2566 .5 .225 1.5 .0035 .0008 .0227 0 .0044 0 |
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Mg4 0 .2566 .5 .145 1.5 .0035 .0008 .0227 0 .0044 0 |
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Si1 .2883 .0852 .2723 .7 .0024 .0002 .0110 .0001 .0019 .0004 |
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Si2 .2978 .1702 .7835 .6 .0027 .0002 .0066 .0004 .0009 .0003 |
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O1 .1145 .0879 .2067 1.1 .0037 .0006 .0124 .0007 .0009 .0008 |
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O2 .1225 .1725 .7238 .8 .0034 .0001 .0116 0 .0003 .0004 |
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O3 .1115 0 .7017 1.0 .0018 .0000 .0238 0 .0025 0 |
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O4 .3760 .2487 .7705 1.0 .0030 .0007 .0099 .0004 .0008 .0003 |
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O5 .3522 .1303 .0587 .9 .0028 .0008 .0052 .0001 .0023 .0014 |
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O6 .3481 .1189 .5583 1.1 .0025 .0014 .0053 .0011 .0001 .0020 |
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O7 .3425 0 .2740 1.1 .0036 .0000 .0229 0 .0046 0 |
|
H .19 0 .74 1.0 |
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|
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|
|   |
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