|
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
|
| |
|
Symesite |
|
Welch M D, Cooper M A, Hawthorne F C, Criddle A J |
|
American Mineralogist 85 (2000) 1526-1533 |
|
Symesite, Pb10(SO4)O7Cl4(H2O), a new PbO-related sheet mineral: Description and |
|
crystal structure |
|
_database_code_amcsd 0002592 |
|
19.727 8.796 13.631 82.21 78.08 100.04 B-1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
S .0078 .2544 .1866 .0207 .0452 .0215 .0077 -.0018 -.0074 |
|
Pb1 .82782 .0100 .1516 .0148 .0132 .0193 .0021 -.0028 -.0047 |
|
Pb2 .20839 .5489 .1468 .0165 .0136 .0178 .0037 -.0057 -.0078 |
|
Pb3 .91743 .6592 .1589 .0146 .0194 .0196 .0032 -.0037 -.0088 |
|
Pb4 .74960 .3610 .1582 .0155 .0143 .0177 .0027 -.0041 -.0078 |
|
Pb5 .28295 .1886 .1591 .0146 .0131 .0159 .0017 -.0043 -.0053 |
|
Pb6 .66701 .7222 .1285 .0169 .0151 .0205 .0035 -.0083 -.0075 |
|
Pb7 .37766 .8428 .1443 .0131 .0149 .0211 .0009 -.0014 -.0074 |
|
Pb8 .11177 .8864 .1523 .0150 .0161 .0179 .0021 -.0058 -.0060 |
|
Pb9 .46460 .4403 .1449 .0145 .0149 .0229 .0002 -.0049 -.0026 |
|
Pb10 .56724 .1162 .1439 .0158 .0178 .0221 .0033 -.0063 -.0103 |
|
Cl1 .4486 .1997 .0252 .0204 .0245 .0284 .0020 -.0087 -.0068 |
|
Cl2 .8124 .7275 .0260 .0236 .0274 .0263 .0087 -.0079 -.0113 |
|
Cl3 .6322 .4249 .0121 .0261 .0233 .0310 .0054 -.0084 -.0118 |
|
Cl4 .2739 .9080 .0195 .0257 .0201 .0296 .0035 -.0082 -.0089 |
|
O1 .0321 .1060 .2046 .1036 |
|
O2 .0147 .2892 .0756 .1036 |
|
O3 .0598 .3721 .2150 .1036 |
|
O4 -.0691 .2300 .2296 .1036 |
|
O5 .6821 .5229 .2333 .0164 |
|
O6 .1413 .6865 .2450 .0196 |
|
O7 .5036 .2610 .2351 .0173 |
|
O8 .2157 .3468 .2640 .0158 |
|
O9 .7793 .1482 .2725 .0149 |
|
O10 .6374 .1767 .2498 .0150 |
|
O11 .3256 .9930 .2455 .0145 |
|
O12 .0947 .6320 .0098 .0643 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Clinochlore |
|
Welch M D, Marshall W G |
|
American Mineralogist 86 (2001) 1380-1386 |
|
High-pressure behaviour of clinochlore |
|
Sample: P = 0 GPa |
|
_database_code_amcsd 0002739 |
|
5.332 9.224 14.414 90 97.07 90 C2/m |
|
atom x y z occ Uiso |
|
Mg1 0 0 0 .008 |
|
Mg2 0 .353 0 .008 |
|
Mg3 0 .160 .5 .015 |
|
Al4 0 .5 .5 .015 |
|
SiT .224 .166 .193 .75 .018 |
|
AlT .224 .166 .193 .25 .018 |
|
O1 .185 .172 .080 .015 |
|
O2 .228 0 .234 .023 |
|
O3 .509 .220 .231 .038 |
|
O4 .181 .5 .068 .013 |
|
O5 .168 0 .435 .026 |
|
O6 .135 .337 .430 .017 |
|
D1 .200 .5 .142 .072 |
|
D2 .120 0 .371 .055 |
|
D3 .117 .320 .358 .107 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Clinochlore |
|
Welch M D, Marshall W G |
|
American Mineralogist 86 (2001) 1380-1386 |
|
High-pressure behaviour of clinochlore |
|
P = 1.2 GPa |
|
_database_code_amcsd 0002740 |
|
5.308 9.186 14.316 90 97.27 90 C2/m |
|
atom x y z occ Uiso |
|
Mg1 0 0 0 .010 |
|
Mg2 0 .351 0 .010 |
|
Mg3 0 .168 .5 .015 |
|
Al4 0 .5 .5 .015 |
|
SiT .233 .162 .195 .75 .016 |
|
AlT .233 .162 .195 .25 .016 |
|
O1 .202 .173 .081 .008 |
|
O2 .210 0 .230 .020 |
|
O3 .516 .221 .235 .040 |
|
O4 .176 .5 .068 .012 |
|
O5 .176 0 .433 .027 |
|
O6 .135 .339 .432 .016 |
|
D1 .221 .5 .141 .069 |
|
D2 .123 0 .369 .039 |
|
D3 .109 .324 .360 .118 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Clinochlore |
|
Welch M D, Marshall W G |
|
American Mineralogist 86 (2001) 1380-1386 |
|
High-pressure behaviour of clinochlore |
|
P = 2.46 GPa |
|
_database_code_amcsd 0002741 |
|
5.283 9.143 14.220 90 96.88 90 C2/m |
|
atom x y z occ Uiso |
|
Mg1 0 0 0 .008 |
|
Mg2 0 .352 0 .008 |
|
Mg3 0 .163 .5 .015 |
|
Al4 0 .5 .5 .015 |
|
SiT .219 .161 .198 .75 .011 |
|
AlT .219 .161 .198 .25 .011 |
|
O1 .191 .171 .080 .009 |
|
O2 .207 0 .233 .013 |
|
O3 .516 .216 .234 .032 |
|
O4 .175 .5 .071 .004 |
|
O5 .172 0 .436 .043 |
|
O6 .134 .336 .430 .014 |
|
D1 .239 .5 .145 .064 |
|
D2 .099 0 .374 .071 |
|
D3 .126 .322 .358 .101 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Clinochlore |
|
Welch M D, Marshall W G |
|
American Mineralogist 86 (2001) 1380-1386 |
|
High-pressure behaviour of clinochlore |
|
P = 4.65 GPa |
|
_database_code_amcsd 0002742 |
|
5.243 9.068 14.117 90 97.38 90 C2/m |
|
atom x y z occ Uiso |
|
Mg1 0 0 0 .007 |
|
Mg2 0 .353 0 .007 |
|
Mg3 0 .175 .5 .015 |
|
Al4 0 .5 .5 .015 |
|
SiT .228 .158 .201 .75 .006 |
|
AlT .228 .158 .201 .25 .006 |
|
O1 .196 .174 .080 .007 |
|
O2 .204 0 .229 .010 |
|
O3 .533 .210 .234 .035 |
|
O4 .177 .5 .069 .004 |
|
O5 .177 0 .432 .007 |
|
O6 .130 .324 .432 .026 |
|
D1 .199 .5 .150 .074 |
|
D2 .090 0 .372 .039 |
|
D3 .063 .344 .355 .099 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Leucophoenicite |
|
Welch M D, Marshall W G, Ross N L, Knight K S |
|
American Mineralogist 87 (2002) 154-159 |
|
H positions in leucophoenicite, Mn7Si3(OH)2: |
|
A close relative of the hydrous B phases |
|
Locality: Franklin, New Jersey, USA |
|
_database_code_amcsd 0002751 |
|
10.8259 4.8565 11.3758 90 103.956 90 P2_1/a |
|
atom x y z occ Uiso |
|
Mn1 0 0 0 .0134 |
|
Mn2 .3149 .015 .1396 .64 .0134 |
|
Ca2 .3149 .015 .1396 .32 .0134 |
|
Mg2 .3149 .015 .1396 .02 .0134 |
|
Zn2 .3149 .015 .1396 .02 .0134 |
|
Mn3 .3308 .496 .4157 .0134 |
|
Mn4 .0870 -.009 .2957 .0134 |
|
Si1 .0209 .423 .4366 .5 .0052 |
|
Si2 .1271 .5753 .1418 .0052 |
|
O1 .4916 -.2174 .1463 .0094 |
|
O2 .3398 .2198 -.0238 .0141 |
|
O3 .2270 -.2901 .2595 .0055 |
|
O4 .4151 .241 .3041 .022 |
|
O5 .1753 .2539 .4381 .0134 |
|
O6 .1271 .2457 .1442 .0079 |
|
O7 .5227 .758 .4370 .026 |
|
H1 -.066 .421 .326 .5 .015 |
|
H2 .1265 .404 .436 .5 .015 |
|
|
| Download AMC data (View Text File)
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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)
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View JMOL 3-D Structure
|
| |
|
Schwartzembergite |
|
Welch M D, Hawthorne F C, Cooper M A, Kyser T K |
|
The Canadian Mineralogist 39 (2001) 785-795 |
|
Trivalent iodine in the crystal structure of schwartzembergite, Pb5IO6H2Cl3 |
|
_database_code_amcsd 0005721 |
|
3.977 3.977 12.566 90 90 90 I4/mmm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb 0 0 .1421 .833 .0024 .0024 .0022 0 0 0 |
|
I 0 0 .185 .167 .0011 .0011 .0031 0 0 0 |
|
Cl 0 0 .5 .0024 .0024 .0040 0 0 0 |
|
O .5 0 .25 .0031 .0031 .0032 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fluoro-edenite |
| |
Welch M D, Knight K S |
| |
European Journal of Mineralogy 11 (1999) 321-331 |
|
A neutron powder diffraction study of cation ordering in |
|
high-temperature synthetic amphiboles |
|
_database_code_amcsd 0006770 |
|
9.8535 18.0154 5.2752 90 104.892 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) |
|
SiT1 .2810 .0844 .3010 .75 .0018 |
|
AlT1 .2810 .0844 .3010 .25 .0018 |
|
SiT2 .2888 .1717 .8083 .0027 |
|
MgM1 0 .0887 .5 .0037 |
|
MgM2 0 .1760 0 .0038 |
|
MgM3 0 0 0 .0067 |
|
CaM4 0 .2784 .5 .0122 |
|
NaA2/m 0 .5 0 .16 .190 .136 .237 0 .209 0 |
|
O1 .1108 .0848 .2194 .0041 |
|
O2 .1194 .1705 .7272 .0064 |
|
F3 .1030 0 .7142 .0073 |
|
O4 .3639 .2491 .7898 .0060 |
|
O5 .3488 .1358 .1040 .0083 |
|
O6 .3454 .1168 .6007 .0069 |
|
O7 .3422 0 .2823 .0095 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pargasite |
|
Welch M D, Knight K S |
| |
European Journal of Mineralogy 11 (1999) 321-331 |
|
A neutron powder diffraction study of cation ordering in |
|
high-temperature synthetic amphiboles |
|
_database_code_amcsd 0006771 |
|
9.8930 17.937 5.2802 90 105.518 90 C2/m |
|
atom x y z occ Uiso |
|
NaA2/m 0 .5 0 .068 |
|
MgM1 0 .0881 .5 .0057 |
|
MgM2 0 .1761 0 .75 .0011 |
|
AlM2 0 .1761 0 .25 .0011 |
|
MgM3 0 0 0 .5 .0067 |
|
AlM3 0 0 0 .5 .0067 |
|
CaM4 0 .2804 .5 .0104 |
|
SiT1 .2807 .0861 .3040 .58 .0023 |
|
AlT1 .2807 .0861 .3040 .42 .0023 |
|
SiT2 .2884 .1734 .8171 .92 .0025 |
|
AlT2 .2884 .1734 .8171 .08 .0025 |
|
O1 .1070 .0866 .2185 .0093 |
|
O2 .1199 .1726 .7330 .0078 |
|
O3 .1061 0 .7176 .0010 |
|
O4 .3658 .2506 .7863 .0072 |
|
O5 .3489 .1399 .1165 .0059 |
|
O6 .3436 .1135 .6191 .0089 |
|
O7 .3414 0 .2672 .0083 |
|
H .2045 0 .7796 .045 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Manganogrunerite |
|
Reece J J, Redfern S A T, Welch M D, Henderson C M B, McCammon C A |
| |
Physics and Chemistry of Minerals 29 (2002) 562-570 |
|
Temperature-dependent Fe-Mn order-disorder behaviour in amphiboles |
|
Sample: BM40798, T = 25 C |
|
Locality: Langban, Sweden |
|
_database_code_amcsd 0008722 |
|
9.63005 18.3425 5.34374 90 102.1748 90 C2/m |
|
atom x y z occ Biso |
|
MnM1 0 .08838 .5 .156 .20 |
|
FeM1 0 .08838 .5 .698 .20 |
|
MgM1 0 .08838 .5 .146 .20 |
|
MnM2 0 .1790 0 .180 .32 |
|
FeM2 0 .1790 0 .458 .32 |
|
MgM2 0 .1790 0 .362 .32 |
|
MnM3 0 0 0 .059 1.06 |
|
FeM3 0 0 0 .707 1.06 |
|
MgM3 0 0 0 .234 1.06 |
|
MnM4 0 .2498 .5 .585 2.8 |
|
CaM4 0 .2498 .5 .050 2.8 |
|
FeM4 0 .2498 .5 .365 2.8 |
|
SiT1 .2807 .0845 .2688 .953 .63 |
|
FeT1 .2807 .0845 .2688 .047 .63 |
|
SiT2 .3028 .16668 .7845 .46 |
|
H1 .2126 0 .723 6.4 |
|
O1 .1129 .08886 .2056 .58 |
|
O2 .1228 .17314 .7128 .48 |
|
O3 .1107 0 .7141 .05 |
|
O4 .3732 .24205 .7667 .78 |
|
O5 .3487 .12917 .0579 .68 |
|
O6 .3459 .12103 .5529 .78 |
|
O7 .3379 0 .2729 .90 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Manganogrunerite |
|
Reece J J, Redfern S A T, Welch M D, Henderson C M B, McCammon C A |
| |
Physics and Chemistry of Minerals 29 (2002) 562-570 |
|
Temperature-dependent Fe-Mn order-disorder behaviour in amphiboles |
|
Sample: BM40798, T = 100 C |
|
Locality: Langban, Sweden |
|
_database_code_amcsd 0008723 |
|
9.63541 18.3403 5.34220 90 102.1312 90 C2/m |
|
atom x y z occ Biso |
|
MnM1 0 .0884 .5 .157 .30 |
|
FeM1 0 .0884 .5 .687 .30 |
|
MgM1 0 .0884 .5 .156 .30 |
|
MnM2 0 .1791 0 .180 .34 |
|
FeM2 0 .1791 0 .458 .34 |
|
MgM2 0 .1791 0 .362 .34 |
|
MnM3 0 0 0 .057 1.36 |
|
FeM3 0 0 0 .728 1.36 |
|
MgM3 0 0 0 .215 1.36 |
|
MnM4 0 .2500 .5 .584 2.6 |
|
CaM4 0 .2500 .5 .050 2.6 |
|
FeM4 0 .2500 .5 .366 2.6 |
|
SiT1 .2809 .0846 .2685 .953 .71 |
|
FeT1 .2809 .0846 .2685 .047 .71 |
|
SiT2 .3026 .1665 .7851 .53 |
|
H1 .2141 0 .728 7.2 |
|
O1 .1129 .0890 .2057 .76 |
|
O2 .1228 .1733 .7134 .61 |
|
O3 .1117 0 .7145 .25 |
|
O4 .3730 .2419 .7670 .90 |
|
O5 .3490 .12877 .0575 .91 |
|
O6 .3451 .1211 .5527 .94 |
|
O7 .3362 0 .2720 1.10 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Manganogrunerite |
|
Reece J J, Redfern S A T, Welch M D, Henderson C M B, McCammon C A |
| |
Physics and Chemistry of Minerals 29 (2002) 562-570 |
|
Temperature-dependent Fe-Mn order-disorder behaviour in amphiboles |
|
Sample: BM40798, T = 200 C |
|
Locality: Langban, Sweden |
|
_database_code_amcsd 0008724 |
|
9.64716 18.3470 5.34266 90 102.0842 90 C2/m |
|
atom x y z occ Biso |
|
MnM1 0 .0883 .5 .150 .52 |
|
FeM1 0 .0883 .5 .683 .52 |
|
MgM1 0 .0883 .5 .167 .52 |
|
MnM2 0 .1794 0 .190 .38 |
|
FeM2 0 .1794 0 .442 .38 |
|
MgM2 0 .1794 0 .368 .38 |
|
MnM3 0 0 0 .060 1.69 |
|
FeM3 0 0 0 .760 1.69 |
|
MgM3 0 0 0 .180 1.69 |
|
MnM4 0 .2503 .5 .580 3.2 |
|
CaM4 0 .2503 .5 .050 3.2 |
|
FeM4 0 .2503 .5 .370 3.2 |
|
SiT1 .2813 .0845 .2689 .953 .76 |
|
FeT1 .2813 .0845 .2689 .047 .76 |
|
SiT2 .3018 .1665 .7846 .69 |
|
H1 .2080 0 .718 8.5 |
|
O1 .1137 .0887 .2066 .94 |
|
O2 .1224 .1736 .7117 .77 |
|
O3 .1107 0 .7148 .44 |
|
O4 .3728 .2416 .7670 1.09 |
|
O5 .3484 .1285 .0564 1.14 |
|
O6 .3452 .1212 .5531 1.17 |
|
O7 .3361 0 .2711 1.17 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Manganogrunerite |
|
Reece J J, Redfern S A T, Welch M D, Henderson C M B, McCammon C A |
| |
Physics and Chemistry of Minerals 29 (2002) 562-570 |
|
Temperature-dependent Fe-Mn order-disorder behaviour in amphiboles |
|
Sample: BM40798, T = 300 C |
|
Locality: Langban, Sweden |
|
_database_code_amcsd 0008725 |
|
9.65866 18.3543 5.34388 90 102.0409 90 C2/m |
|
atom x y z occ Biso |
|
MnM1 0 .0883 .5 .151 .77 |
|
FeM1 0 .0883 .5 .691 .77 |
|
MgM1 0 .0883 .5 .158 .77 |
|
MnM2 0 .1793 0 .198 .35 |
|
FeM2 0 .1793 0 .422 .35 |
|
MgM2 0 .1793 0 .380 .35 |
|
MnM3 0 0 0 .066 2.10 |
|
FeM3 0 0 0 .761 2.10 |
|
MgM3 0 0 0 .173 2.10 |
|
MnM4 0 .2505 .5 .569 3.2 |
|
CaM4 0 .2505 .5 .050 3.2 |
|
FeM4 0 .2505 .5 .381 3.2 |
|
SiT1 .2817 .0841 .2676 .953 .84 |
|
FeT1 .2817 .0841 .2676 .047 .84 |
|
SiT2 .3017 .1664 .7855 .85 |
|
H1 .2055 0 .711 9.3 |
|
O1 .1136 .0889 .2075 1.07 |
|
O2 .1234 .1737 .7119 1.06 |
|
O3 .1121 0 .7151 .66 |
|
O4 .3742 .2411 .7674 1.30 |
|
O5 .3483 .1278 .0558 1.35 |
|
O6 .3453 .1210 .5531 1.37 |
|
O7 .3357 0 .2712 1.33 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Manganogrunerite |
|
Reece J J, Redfern S A T, Welch M D, Henderson C M B, McCammon C A |
| |
Physics and Chemistry of Minerals 29 (2002) 562-570 |
|
Temperature-dependent Fe-Mn order-disorder behaviour in amphiboles |
|
Sample: BM40798, T = 350 C |
|
Locality: Langban, Sweden |
|
_database_code_amcsd 0008726 |
|
9.66448 18.3592 5.34435 90 102.0158 90 C2/m |
|
atom x y z occ Biso |
|
MnM1 0 .0885 .5 .144 .83 |
|
FeM1 0 .0885 .5 .675 .83 |
|
MgM1 0 .0885 .5 .181 .83 |
|
MnM2 0 .1796 0 .205 .42 |
|
FeM2 0 .1796 0 .415 .42 |
|
MgM2 0 .1796 0 .380 .42 |
|
MnM3 0 0 0 .066 2.20 |
|
FeM3 0 0 0 .807 2.20 |
|
MgM3 0 0 0 .127 2.20 |
|
MnM4 0 .2532 .5 .568 3.3 |
|
CaM4 0 .2532 .5 .050 3.3 |
|
FeM4 0 .2532 .5 .382 3.3 |
|
SiT1 .2823 .0845 .2676 .953 .95 |
|
FeT1 .2823 .0845 .2676 .047 .95 |
|
SiT2 .3012 .1659 .7843 .88 |
|
H1 .2031 0 .705 10.1 |
|
O1 .1134 .0888 .2082 1.18 |
|
O2 .1246 .1736 .7115 1.18 |
|
O3 .1129 0 .7149 .77 |
|
O4 .3751 .2409 .7674 1.39 |
|
O5 .3472 .1279 .0553 1.38 |
|
O6 .3462 .1212 .5535 1.51 |
|
O7 .3352 0 .2709 1.52 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Manganogrunerite |
|
Reece J J, Redfern S A T, Welch M D, Henderson C M B, McCammon C A |
| |
Physics and Chemistry of Minerals 29 (2002) 562-570 |
|
Temperature-dependent Fe-Mn order-disorder behaviour in amphiboles |
|
Sample: BM40798, T = 400 C |
|
Locality: Langban, Sweden |
|
_database_code_amcsd 0008727 |
|
9.67027 18.3656 5.34465 90 101.9899 90 C2/m |
|
atom x y z occ Biso |
|
MnM1 0 .0886 .5 .155 1.00 |
|
FeM1 0 .0886 .5 .682 1.00 |
|
MgM1 0 .0886 .5 .163 1.00 |
|
MnM2 0 .1798 0 .214 .37 |
|
FeM2 0 .1798 0 .412 .37 |
|
MgM2 0 .1798 0 .374 .37 |
|
MnM3 0 0 0 .076 2.58 |
|
FeM3 0 0 0 .750 2.58 |
|
MgM3 0 0 0 .174 2.58 |
|
MnM4 0 .2539 .5 .543 4.1 |
|
CaM4 0 .2539 .5 .050 4.1 |
|
FeM4 0 .2539 .5 .407 4.1 |
|
SiT1 .2817 .0841 .2667 .953 .98 |
|
FeT1 .2817 .0841 .2667 .047 .98 |
|
SiT2 .3010 .1659 .7857 .97 |
|
H1 .2047 0 .707 11.5 |
|
O1 .1140 .0887 .2080 1.31 |
|
O2 .1239 .1737 .7119 1.24 |
|
O3 .1122 0 .7135 .97 |
|
O4 .3745 .2408 .7685 1.48 |
|
O5 .3471 .1277 .0553 1.66 |
|
O6 .3466 .1212 .5531 1.62 |
|
O7 .3343 0 .2706 1.50 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Manganogrunerite |
|
Reece J J, Redfern S A T, Welch M D, Henderson C M B, McCammon C A |
| |
Physics and Chemistry of Minerals 29 (2002) 562-570 |
|
Temperature-dependent Fe-Mn order-disorder behaviour in amphiboles |
|
Sample: BM40798, T = 450 C |
|
Locality: Langban, Sweden |
|
_database_code_amcsd 0008728 |
|
9.67514 18.3750 5.34480 90 101.9463 90 C2/m |
|
atom x y z occ Biso |
|
MnM1 0 .0881 .5 .175 1.10 |
|
FeM1 0 .0881 .5 .658 1.10 |
|
MgM1 0 .0881 .5 .167 1.10 |
|
MnM2 0 .1798 0 .220 .47 |
|
FeM2 0 .1798 0 .401 .47 |
|
MgM2 0 .1798 0 .379 .47 |
|
MnM3 0 0 0 .107 2.60 |
|
FeM3 0 0 0 .735 2.60 |
|
MgM3 0 0 0 .158 2.60 |
|
MnM4 0 .2562 .5 .502 3.9 |
|
CaM4 0 .2562 .5 .050 3.9 |
|
FeM4 0 .2562 .5 .448 3.9 |
|
SiT1 .2822 .0842 .2669 .953 1.11 |
|
FeT1 .2822 .0842 .2669 .047 1.11 |
|
SiT2 .3010 .1658 .7857 1.04 |
|
H1 .1984 0 .701 11.1 |
|
O1 .1124 .0885 .2075 1.29 |
|
O2 .1247 .1738 .7117 1.44 |
|
O3 .1147 0 .7149 1.05 |
|
O4 .3762 .2403 .7675 1.76 |
|
O5 .3466 .1274 .0550 1.70 |
|
O6 .3469 .1207 .5530 1.79 |
|
O7 .3353 0 .2702 1.61 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Manganogrunerite |
|
Reece J J, Redfern S A T, Welch M D, Henderson C M B, McCammon C A |
| |
Physics and Chemistry of Minerals 29 (2002) 562-570 |
|
Temperature-dependent Fe-Mn order-disorder behaviour in amphiboles |
|
Sample: BM40798, T = 500 C |
|
Locality: Langban, Sweden |
|
_database_code_amcsd 0008729 |
|
9.68020 18.3852 5.34547 90 101.9161 90 C2/m |
|
atom x y z occ Biso |
|
MnM1 0 .0880 .5 .198 1.30 |
|
FeM1 0 .0880 .5 .651 1.30 |
|
MgM1 0 .0880 .5 .151 1.30 |
|
MnM2 0 .1793 0 .225 .47 |
|
FeM2 0 .1793 0 .397 .47 |
|
MgM2 0 .1793 0 .378 .47 |
|
MnM3 0 0 0 .114 2.75 |
|
FeM3 0 0 0 .692 2.75 |
|
MgM3 0 0 0 .194 2.75 |
|
MnM4 0 .2570 .5 .469 4.6 |
|
CaM4 0 .2570 .5 .050 4.6 |
|
FeM4 0 .2570 .5 .481 4.6 |
|
SiT1 .2813 .0841 .2669 .953 1.14 |
|
FeT1 .2813 .0841 .2669 .047 1.14 |
|
SiT2 .3010 .1659 .7849 1.04 |
|
H1 .1988 0 .706 11.8 |
|
O1 .1126 .0883 .2090 1.49 |
|
O2 .1241 .1737 .7099 1.44 |
|
O3 .1148 0 .7146 1.37 |
|
O4 .3762 .2404 .7670 1.80 |
|
O5 .3465 .1272 .0543 1.84 |
|
O6 .3471 .1208 .5529 1.79 |
|
O7 .3345 0 .2691 1.71 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Manganogrunerite |
|
Reece J J, Redfern S A T, Welch M D, Henderson C M B, McCammon C A |
| |
Physics and Chemistry of Minerals 29 (2002) 562-570 |
|
Temperature-dependent Fe-Mn order-disorder behaviour in amphiboles |
|
Sample: BM40798, T = 550 C |
|
Locality: Langban, Sweden |
|
_database_code_amcsd 0008730 |
|
9.68373 18.3884 5.34604 90 101.8916 90 C2/m |
|
atom x y z occ Biso |
|
MnM1 0 .0880 .5 .195 1.56 |
|
FeM1 0 .0880 .5 .652 1.56 |
|
MgM1 0 .0880 .5 .153 1.56 |
|
MnM2 0 .1794 0 .236 .60 |
|
FeM2 0 .1794 0 .387 .60 |
|
MgM2 0 .1794 0 .377 .60 |
|
MnM3 0 0 0 .115 3.07 |
|
FeM3 0 0 0 .695 3.07 |
|
MgM3 0 0 0 .190 3.07 |
|
MnM4 0 .2568 .5 .462 5.0 |
|
CaM4 0 .2568 .5 .050 5.0 |
|
FeM4 0 .2568 .5 .488 5.0 |
|
SiT1 .2821 .0839 .2658 .953 1.35 |
|
FeT1 .2821 .0839 .2658 .047 1.35 |
|
SiT2 .3001 .1663 .7852 1.16 |
|
H1 .1934 0 .695 13.1 |
|
O1 .1123 .0885 .2081 1.60 |
|
O2 .1250 .1740 .7108 1.65 |
|
O3 .1138 0 .7126 1.57 |
|
O4 .3769 .2407 .7672 1.93 |
|
O5 .3465 .1272 .0543 1.97 |
|
O6 .3473 .1210 .5523 2.12 |
|
O7 .3340 0 .2700 1.94 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Manganogrunerite |
|
Reece J J, Redfern S A T, Welch M D, Henderson C M B, McCammon C A |
| |
Physics and Chemistry of Minerals 29 (2002) 562-570 |
|
Temperature-dependent Fe-Mn order-disorder behaviour in amphiboles |
|
Sample: BM40798 II, T = 550 C |
|
Locality: Langban, Sweden |
|
_database_code_amcsd 0008731 |
|
9.68170 18.3862 5.34561 90 101.8999 90 C2/m |
|
atom x y z occ Biso |
|
MnM1 0 .0873 .5 .195 1.57 |
|
FeM1 0 .0873 .5 .654 1.57 |
|
MgM1 0 .0873 .5 .151 1.57 |
|
MnM2 0 .1792 0 .230 .57 |
|
FeM2 0 .1792 0 .389 .57 |
|
MgM2 0 .1792 0 .381 .57 |
|
MnM3 0 0 0 .110 3.04 |
|
FeM3 0 0 0 .703 3.04 |
|
MgM3 0 0 0 .187 3.04 |
|
MnM4 0 .2568 .5 .470 4.8 |
|
CaM4 0 .2568 .5 .050 4.8 |
|
FeM4 0 .2568 .5 .480 4.8 |
|
SiT1 .2819 .0842 .2666 .953 1.26 |
|
FeT1 .2819 .0842 .2666 .047 1.26 |
|
SiT2 .2999 .1660 .7842 1.13 |
|
H1 .1960 0 .698 12.6 |
|
O1 .1126 .0880 .2083 1.52 |
|
O2 .1242 .1738 .7107 1.67 |
|
O3 .1141 0 .7123 1.60 |
|
O4 .3766 .2405 .7652 1.86 |
|
O5 .3465 .1275 .0547 1.99 |
|
O6 .3476 .1207 .5527 2.08 |
|
O7 .3355 0 .2720 1.86 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Manganogrunerite |
|
Reece J J, Redfern S A T, Welch M D, Henderson C M B, McCammon C A |
| |
Physics and Chemistry of Minerals 29 (2002) 562-570 |
|
Temperature-dependent Fe-Mn order-disorder behaviour in amphiboles |
|
Sample: BM40798, T = 600 C |
|
Locality: Langban, Sweden |
|
_database_code_amcsd 0008732 |
|
9.68509 18.3886 5.34607 90 101.8720 90 C2/m |
|
atom x y z occ Biso |
|
MnM1 0 .0873 .5 .199 1.71 |
|
FeM1 0 .0873 .5 .658 1.71 |
|
MgM1 0 .0873 .5 .116 1.71 |
|
MnM2 0 .1796 0 .248 .66 |
|
FeM2 0 .1796 0 .362 .66 |
|
MgM2 0 .1796 0 .390 .66 |
|
MnM3 0 0 0 .129 3.10 |
|
FeM3 0 0 0 .684 3.10 |
|
MgM3 0 0 0 .187 3.10 |
|
MnM4 0 .2563 .5 .437 5.2 |
|
CaM4 0 .2563 .5 .050 5.2 |
|
FeM4 0 .2563 .5 .513 5.2 |
|
SiT1 .2820 .0841 .2666 .953 1.53 |
|
FeT1 .2820 .0841 .2666 .047 1.53 |
|
SiT2 .2999 .1660 .7839 1.16 |
|
H1 .1938 0 .698 13.3 |
|
O1 .1123 .0882 .2097 1.70 |
|
O2 .1242 .1737 .7099 1.69 |
|
O3 .1139 0 .7120 1.82 |
|
O4 .3763 .2403 .7663 2.03 |
|
O5 .3462 .1271 .0543 2.03 |
|
O6 .3480 .1210 .5521 2.28 |
|
O7 .3344 0 .2709 2.04 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Manganogrunerite |
|
Reece J J, Redfern S A T, Welch M D, Henderson C M B, McCammon C A |
| |
Physics and Chemistry of Minerals 29 (2002) 562-570 |
|
Temperature-dependent Fe-Mn order-disorder behaviour in amphiboles |
|
Sample: BM40798 II, T = 600 C |
|
Locality: Langban, Sweden |
|
_database_code_amcsd 0008733 |
|
9.68245 18.3848 5.34572 90 101.8796 90 C2/m |
|
atom x y z occ Biso |
|
MnM1 0 .0870 .5 .196 1.77 |
|
FeM1 0 .0870 .5 .652 1.77 |
|
MgM1 0 .0870 .5 .152 1.77 |
|
MnM2 0 .1793 0 .243 .58 |
|
FeM2 0 .1793 0 .360 .58 |
|
MgM2 0 .1793 0 .397 .58 |
|
MnM3 0 0 0 .119 3.05 |
|
FeM3 0 0 0 .730 3.05 |
|
MgM3 0 0 0 .151 3.05 |
|
MnM4 0 .2562 .5 .452 5.8 |
|
CaM4 0 .2562 .5 .050 5.8 |
|
FeM4 0 .2562 .5 .498 5.8 |
|
SiT1 .2830 .0838 .2672 .953 1.39 |
|
FeT1 .2830 .0838 .2672 .047 1.39 |
|
SiT2 .2989 .1663 .7834 1.31 |
|
H1 .1936 0 .702 14.5 |
|
O1 .1131 .0881 .2094 1.79 |
|
O2 .1238 .1737 .7106 1.70 |
|
O3 .1136 0 .7110 1.84 |
|
O4 .3769 .2407 .7661 1.98 |
|
O5 .3466 .1272 .0538 2.04 |
|
O6 .3473 .1210 .5521 2.37 |
|
O7 .3350 0 .2712 1.96 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brunogeierite |
|
Welch M D, Cooper M A, Hawthorne F C |
|
Mineralogical Magazine 65 (2001) 441-444 |
|
The crystal structure of brunogeierite, Fe2GeO4 spinel |
|
Locality: Tsumeb, Namibia |
|
_database_code_amcsd 0014558 |
|
8.4127 8.4127 8.4127 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ge .125 .125 .125 .0046 .0046 .0046 .0046 0 0 0 |
|
Fe .5 .5 .5 .0061 .0061 .0061 .0061 .0004 .0004 .0004 |
|
O .2466 .2466 .2466 .0062 .0062 .0062 .0062 -.0015 -.0015 -.0015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Asisite |
|
Welch M D |
|
Mineralogical Magazine 68 (2004) 247-254 |
|
Pb-Si ordering in sheet-oxychloride minerals: the super-structure of asisite, |
|
nominally Pb7SiO8Cl2 |
|
Locality: Kombat mine, Namibia |
|
_database_code_amcsd 0014572 |
|
3.8932 3.8932 22.803 90 90 90 I4/mmm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 0 0 .0838 .017 .022 .022 .007 0 0 0 |
|
Pb2 0 0 .3049 .75 .018 .031 .031 .014 0 0 0 |
|
Si2 0 0 .3049 .25 .018 .031 .031 .014 0 0 0 |
|
O 0 .5 .143 .059 .062 .058 .056 0 0 0 |
|
Cl 0 0 .5 .043 .034 .034 .060 0 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kingstonite |
| |
Stanley C J, Criddle A J, Spratt J, Roberts A C, Szymanski J T, Welch M D |
|
Mineralogical Magazine 69 (2005) 447-453 |
|
Kingstonite, (Rh,Ir,Pt)3S4, a new mineral species from Yubdo, Ethiopia |
|
Locality: Bir Bir River, Yubdo District, Wallaga Province, Ethiopia |
|
_database_code_amcsd 0014575 |
|
10.4616 10.7527 6.2648 90 109.000 90 C2/m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Rh1 .36578 .14279 .95211 .75 .0055 .0064 .0066 -.0004 .0024 -.0005 |
|
Ir1 .36578 .14279 .95211 .25 .0055 .0064 .0066 -.0004 .0024 -.0005 |
|
Rh2 .64989 0 .44360 .90 .0049 .0061 .0070 0 .0021 0 |
|
Ir2 .64989 0 .44360 .10 .0049 .0061 .0070 0 .0021 0 |
|
Rh3 0 0 0 .64 .0039 .0057 .0042 0 .0015 0 |
|
Ir3 0 0 0 .36 .0039 .0057 .0042 0 .0015 0 |
|
Rh4 0 .16031 .5 .69 .0048 .0047 .0050 0 .0013 0 |
|
Ir4 0 .16031 .5 .31 .0048 .0047 .0050 0 .0013 0 |
|
S1 .41625 0 .23612 .0055 .0084 .0051 0 -.0006 0 |
|
S2 .87342 .15705 .11257 .0048 .0062 .0075 .0018 .0019 .0006 |
|
S3 .11639 0 .39114 .0119 .0085 .0056 0 .0046 0 |
|
S4 .14923 .28955 .40093 .0071 .0078 .0056 -.0033 .0023 .0002 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Seeligerite |
|
Bindi L, Welch M D, Bonazzi P, Pratesi G, Menchetti S |
| |
Mineralogical Magazine 71 (2008) 771-783 |
|
The crystal structure of seeligerite, Pb3IO4Cl3, a rare Pb-I-oxychloride from |
|
the San Rafael mine, Sierra Gorda, Chile |
|
Locality: San Rafael mine, Sierra Gorda, Chile |
|
_database_code_amcsd 0014582 |
|
7.971 7.976 27.341 90 90 90 Cmm2 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 0 0 .00120 .0391 .0391 .0390 .0392 0 0 0 |
|
Pb2 0 0 .32526 .0284 .0280 .0280 .0291 0 0 0 |
|
Pb3 0 .5 .32043 .0328 .0328 .0327 .0328 0 0 0 |
|
Pb4 0 0 .65541 .0304 .0295 .0297 .0321 0 0 0 |
|
Pb5 0 .5 .65998 .0335 .0329 .0328 .0350 0 0 0 |
|
Pb6 0 .5 .93079 .0366 .0361 .0360 .0378 0 0 0 |
|
Pb7 .25 .25 .15868 .0288 .0278 .0277 .0309 .0002 0 0 |
|
Pb8 .25 .25 .82289 .0307 .0307 .0306 .0308 .0001 0 0 |
|
Pb9 .25 .25 .56002 .0614 .0605 .0605 .0632 -.0002 0 0 |
|
I1 0 0 .90611 .0358 .034 .034 .039 0 0 0 |
|
I2 .25 .25 .42342 .0195 .0197 .0197 .0190 -.0001 0 0 |
|
I3 0 .5 .07382 .0116 .0121 .0120 .0108 0 0 0 |
|
O1 0 .7097 .1081 .034 .033 .031 .039 0 0 .002 |
|
O2 .2101 .5 .1079 .034 .032 .033 .039 0 .003 0 |
|
O3 .2313 0 .8840 .023 .026 .029 .014 0 -.004 0 |
|
O4 0 -.2311 .8840 .023 .029 .025 .014 0 0 .004 |
|
O5 .2489 0 .6097 .084 .07 .09 .09 0 .01 0 |
|
O6 0 .2490 .6085 .085 .08 .07 .10 0 0 -.01 |
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O7 .2493 .5 .4212 .037 .036 .041 .033 0 -.002 0 |
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O8 0 .2507 .4211 .037 .040 .036 .034 0 0 .003 |
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Cl1 0 0 .1987 .0180 .022 .022 .009 0 0 0 |
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Cl2 .25 .25 .7026 .037 .037 .038 .036 .001 0 0 |
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Cl3 0 .5 .7964 .041 .047 .046 .030 0 0 0 |
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Cl4 0 0 .7852 .036 .034 .034 .040 0 0 0 |
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Cl5 .25 .25 .2981 .036 .035 .035 .039 -.001 0 0 |
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Cl6 0 0 .5108 .066 .072 .071 .056 0 0 0 |
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Cl7 .25 .25 -.0179 .0466 .051 .051 .037 -.003 0 0 |
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Cl8 0 .5 .2088 .0139 .015 .015 .012 0 0 0 |
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Cl9 0 .5 .4921 .029 .028 .029 .031 0 0 0 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure
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Mavlyanovite |
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Yusupov R G, Stanley C J, Welch M D, Spratt J, Cressey G, Rumsey M S, Seltmann R, Igamberdiev E |
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Mineralogical Magazine 73 (2009) 43-50 |
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Mavlyanovite, Mn5Si3: a new mineral species from a lamproite diatreme, Chatkal Ridge, Uzbekistan |
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Locality: Chatkal Ridge, Uzbekistan |
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_database_code_amcsd 0014586 |
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6.8971 6.8971 4.8075 90 90 120 P6_3/mcm |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mn1 1/3 2/3 0 .0053 .0060 .0060 .0038 .0030 0 0 |
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Mn2 .23459 0 .25 .0073 .0071 .0054 .0089 .0027 0 0 |
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Si .59779 0 .25 .0066 .0057 .0046 .0091 .0023 0 0 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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