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Clintonite-1M |
| |
Joswig W, Amthauer G, Takeuchi Y |
 |
American Mineralogist 71 (1986) 1194-1197 |
|
Neutron-diffraction and Mossbauer spectroscopic study of clintonite |
|
(xanthophyllite) |
|
5.2037 9.0126 9.8145 90 100.26 90 C2/m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .5 .5 0 .0100 .0077 .0070 0 .0023 0 |
|
Mg1 0 .5 .5 .73 .0034 .0037 .0072 0 .0012 0 |
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Al1 0 .5 .5 .22 .0034 .0037 .0072 0 .0012 0 |
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Fe1 0 .5 .5 .05 .0034 .0037 .0072 0 .0012 0 |
|
Mg2 .5 .32982 .5 .77 .0048 .0047 .0073 0 .0014 0 |
|
Al2 .5 .32982 .5 .23 .0048 .0047 .0073 0 .0014 0 |
|
Ti2 .5 .32982 .5 .003 .0048 .0047 .0073 0 .0014 0 |
|
Si3 .57049 .16705 .20976 .300 .0061 .0047 .0061 -.0004 .0012 .0001 |
|
Al3 .57049 .16705 .20976 .673 .0061 .0047 .0061 -.0004 .0012 .0001 |
|
Fe3 .57049 .16705 .20976 .027 .0061 .0047 .0061 -.0004 .0012 .0001 |
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O1 .42771 0 .15161 .0122 .0107 .0105 0 .0005 0 |
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O2 .86158 .18853 .15029 .0113 .0117 .0109 -.0012 .0031 -.0010 |
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O3 .63088 .16856 .38782 .0108 .0093 .0085 -.0001 .0016 .0005 |
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O4 .62827 .5 .39774 .0104 .0135 .0068 0 .0013 0 |
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H .5966 .5 .3001 .0516 .0607 .0099 0 .0025 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Annite |
 |
Redhammer G J, Beran A, Schneider J, Amthauer G, Lottermoser W |
| |
American Mineralogist 85 (2000) 449-465 |
|
Spectroscopic and structural properties of synthetic micas on the |
|
annite-siderophyllite binary: Synthesis, crystal structure refinement, |
|
Mossbauer, and infrared spectroscopy |
|
Sample: A44 |
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5.3899 9.3367 10.3086 90 100.16 90 C2/m |
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atom x y z occ Biso |
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SiT .5746 .1664 .2254 .75 1.07 |
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AlT .5746 .1664 .2254 .25 1.07 |
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Fe1 0 .5 .5 .9 |
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Fe2 0 .8333 .5 1.60 |
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K 0 0 0 .956 3.8 |
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O1 .8138 .2410 .1777 3.2 |
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O2 .5457 0 .1676 2.4 |
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O3 .6373 .1675 .3939 1.5 |
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O4 .1367 0 .3860 1.9 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Annite |
|
Redhammer G J, Beran A, Schneider J, Amthauer G, Lottermoser W |
| |
American Mineralogist 85 (2000) 449-465 |
|
Spectroscopic and structural properties of synthetic micas on the |
|
annite-siderophyllite binary: Synthesis, crystal structure refinement, |
|
Mossbauer, and infrared spectroscopy |
|
Sample: sd12no.10 |
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5.3944 9.3454 10.3284 90 100.22 90 C2/m |
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atom x y z occ Biso |
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SiT .5714 .1668 .2258 .718 .6 |
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AlT .5714 .1668 .2258 .282 .6 |
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Al1 0 .5 .5 .952 .7 |
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Fe1 0 .5 .5 .048 .7 |
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Al2 0 .8333 .5 .036 .97 |
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Fe2 0 .8333 .5 .958 .97 |
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K 0 0 0 .99 4.0 |
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O1 .8085 .2466 .1744 2.5 |
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O2 .5417 0 .1722 .9 |
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O3 .6365 .1665 .3940 .9 |
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O4 .1323 0 .3877 1.4 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Annite |
|
Redhammer G J, Beran A, Schneider J, Amthauer G, Lottermoser W |
| |
American Mineralogist 85 (2000) 449-465 |
|
Spectroscopic and structural properties of synthetic micas on the |
|
annite-siderophyllite binary: Synthesis, crystal structure refinement, |
|
Mossbauer, and infrared spectroscopy |
|
Sample: sd37no.10 |
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5.3812 9.3234 10.2934 90 100.22 90 C2/m |
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atom x y z occ Biso |
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SiT .5724 .1667 .2260 .665 .77 |
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AlT .5724 .1667 .2260 .335 .77 |
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Al1 0 .5 .5 .100 .7 |
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Fe1 0 .5 .5 .900 .7 |
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Al2 0 .8323 .5 .114 .97 |
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Fe2 0 .8323 .5 .890 .97 |
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K 0 0 0 .964 2.8 |
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O1 .8201 .2308 .1758 2.3 |
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O2 .5277 0 .1700 1.2 |
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O3 .6368 .1678 .3933 1.2 |
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O4 .1329 0 .3909 1.1 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Annite |
|
Redhammer G J, Beran A, Schneider J, Amthauer G, Lottermoser W |
| |
American Mineralogist 85 (2000) 449-465 |
|
Spectroscopic and structural properties of synthetic micas on the |
|
annite-siderophyllite binary: Synthesis, crystal structure refinement, |
|
Mossbauer, and infrared spectroscopy |
|
Sample: sd50no.10 |
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5.3732 9.3097 10.2807 90 100.24 90 C2/m |
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atom x y z occ Biso |
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SiT .5720 .1670 .2261 .648 .69 |
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AlT .5720 .1670 .2261 .352 .69 |
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Al1 0 .5 .5 .136 .5 |
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Fe1 0 .5 .5 .864 .5 |
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Al2 0 .8318 .5 .184 1.08 |
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Fe2 0 .8318 .5 .852 1.08 |
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K 0 0 0 .936 2.1 |
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O1 .8251 .2255 .1759 1.8 |
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O2 .5216 0 .1711 1.6 |
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O3 .6370 .1690 .3943 1.3 |
|
O4 .1332 0 .3924 1.6 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Annite |
|
Redhammer G J, Beran A, Schneider J, Amthauer G, Lottermoser W |
| |
American Mineralogist 85 (2000) 449-465 |
|
Spectroscopic and structural properties of synthetic micas on the |
|
annite-siderophyllite binary: Synthesis, crystal structure refinement, |
|
Mossbauer, and infrared spectroscopy |
|
Sample: sd62no.10 |
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5.3635 9.2929 10.2837 90 100.28 90 C2/m |
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atom x y z occ Biso |
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SiT .5748 .1674 .2269 .608 .99 |
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AlT .5748 .1674 .2269 .392 .99 |
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Al1 0 .5 .5 .122 .9 |
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Fe1 0 .5 .5 .878 .9 |
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Al2 0 .8327 .5 .231 1.1 |
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Fe2 0 .8327 .5 .775 1.1 |
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K 0 0 0 .940 2.4 |
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O1 .8290 .2237 .1770 2.0 |
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O2 .5117 0 .1734 1.9 |
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O3 .6391 .1689 .3950 2.0 |
|
O4 .1310 0 .3926 1.6 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Annite |
|
Redhammer G J, Beran A, Schneider J, Amthauer G, Lottermoser W |
| |
American Mineralogist 85 (2000) 449-465 |
|
Spectroscopic and structural properties of synthetic micas on the |
|
annite-siderophyllite binary: Synthesis, crystal structure refinement, |
|
Mossbauer, and infrared spectroscopy |
|
Sample: sd75no.10 |
|
5.3607 9.2874 10.2664 90 100.30 90 C2/m |
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atom x y z occ Biso |
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SiT .5740 .1665 .2266 .58 .68 |
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AlT .5740 .1665 .2266 .42 .68 |
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Al1 0 .5 .5 .864 .8 |
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Fe1 0 .5 .5 .136 .8 |
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Al2 0 .8319 .5 .306 .95 |
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Fe2 0 .8319 .5 .744 .95 |
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K 0 0 0 .928 1.9 |
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O1 .8333 .2205 .1768 2.1 |
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O2 .5069 0 .1740 1.8 |
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O3 .6384 .1697 .3945 1.9 |
|
O4 .1309 0 .3928 1.4 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Annite |
|
Redhammer G J, Beran A, Schneider J, Amthauer G, Lottermoser W |
| |
American Mineralogist 85 (2000) 449-465 |
|
Spectroscopic and structural properties of synthetic micas on the |
|
annite-siderophyllite binary: Synthesis, crystal structure refinement, |
|
Mossbauer, and infrared spectroscopy |
|
Sample: sd87no.10 |
|
5.3582 9.2819 10.2688 90 100.39 90 C2/m |
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atom x y z occ Biso |
|
SiT .5741 .1673 .2271 .57 .73 |
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AlT .5741 .1673 .2271 .43 .73 |
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Al1 0 .5 .5 .132 .7 |
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Fe1 0 .5 .5 .868 .7 |
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Al2 0 .8327 .5 .334 1.0 |
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Fe2 0 .8327 .5 .722 1.0 |
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K 0 0 0 .920 2.0 |
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O1 .8343 .2190 .1766 2.0 |
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O2 .5020 0 .1748 2.2 |
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O3 .6385 .1700 .3958 1.9 |
|
O4 .1289 0 .3928 1.4 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Annite |
|
Redhammer G J, Beran A, Schneider J, Amthauer G, Lottermoser W |
| |
American Mineralogist 85 (2000) 449-465 |
|
Spectroscopic and structural properties of synthetic micas on the |
|
annite-siderophyllite binary: Synthesis, crystal structure refinement, |
|
Mossbauer, and infrared spectroscopy |
|
Sample: G-117 |
|
5.377 9.308 10.283 90 100.22 90 C2/m |
|
atom x y z occ Biso |
|
SiT .5754 .16681 .22579 .638 .99 |
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AlT .5754 .16681 .22579 .112 .99 |
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Al1 0 .5 .5 .87 |
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Fe1 0 .5 .5 .87 |
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Al2 0 .83196 .5 .89 |
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Fe2 0 .83196 .5 .89 |
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K 0 0 0 .99 2.85 |
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Na 0 0 0 .01 2.85 |
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O1 .8260 .2298 .1695 2.01 |
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O2 .5158 0 .1706 1.93 |
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O3 .6319 .1679 .3918 1.44 |
|
O4 .1271 0 .3963 1.61 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Suredaite |
| |
Paar W H, Miletich R, Topa D, Criddle A J, De Brodtkorb M K, Amthauer G, Tippelt G |
| |
American Mineralogist 85 (2000) 1066-1075 |
|
Suredaite, PbSnS3, a new mineral species, from the Pirquitas Ag-Sn deposit, |
|
NW-Argentina: Mineralogy and crystal structure |
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8.8221 3.7728 14.0076 90 90 90 Pnma |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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PbA .5030 .75 .1705 .92 .0109 .0269 .0034 0 -.0001 0 |
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SnA .5030 .75 .1705 .08 .0109 .0269 .0034 0 -.0001 0 |
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SnB .1655 .25 .0521 .99 .0037 .0223 .0014 0 .0002 0 |
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FeB .1655 .25 .0521 .01 .0037 .0223 .0014 0 .0002 0 |
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S1 -.0114 .75 .1062 .0063 .017 .0015 0 -.0014 0 |
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S2 .3394 .75 -.0066 .0012 .031 .0013 0 -.0006 0 |
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S3 .2855 .25 .2132 .0075 .015 .0016 0 -.0020 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
Redhammer G J, Tippelt G, Roth G, Amthauer G |
| |
American Mineralogist 89 (2004) 405-420 |
|
Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: |
|
Single-crystal X-ray diffraction at 25 deg C and high temperature |
|
X-ray powder diffraction (25 C <= T <= 1000 C) |
|
Sample: bx000_1 |
|
5.4268 14.7631 5.5969 90 90 90 Pnma |
|
atom x y z Uiso |
|
Ca .4808 .10798 .0227 .0073 |
|
FeM 0 0 0 .0049 |
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FeT .9461 1/4 .93403 .0046 |
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O1 .2628 .9843 .2370 .0070 |
|
O2 .0240 .1406 .0735 .0087 |
|
O3 .5991 1/4 .8741 .0074 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
Redhammer G J, Tippelt G, Roth G, Amthauer G |
| |
American Mineralogist 89 (2004) 405-420 |
|
Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: |
|
Single-crystal X-ray diffraction at 25 deg C and high temperature |
|
X-ray powder diffraction (25 C <= T <= 1000 C) |
|
Sample: bht005_2 |
|
5.4217 14.7432 5.5960 90 90 90 Pnma |
|
atom x y z occ Uiso |
|
Ca .48141 .10802 .02331 .0065 |
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FeM 0 0 0 .966 .0033 |
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AlM 0 0 0 .034 .0033 |
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FeT .94628 1/4 .93351 .920 .0026 |
|
AlT .94628 1/4 .93351 .080 .0026 |
|
O1 .2622 .98432 .2375 .0062 |
|
O2 .0236 .14090 .0723 .0082 |
|
O3 .5992 1/4 .8736 .0063 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
Redhammer G J, Tippelt G, Roth G, Amthauer G |
| |
American Mineralogist 89 (2004) 405-420 |
|
Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: |
|
Single-crystal X-ray diffraction at 25 deg C and high temperature |
|
X-ray powder diffraction (25 C <= T <= 1000 C) |
|
Sample: bht015_1 |
|
5.4140 14.7163 5.5947 90 90 90 Pnma |
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atom x y z occ Uiso |
|
Ca .48243 .10813 .02388 .0068 |
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FeM 0 0 0 .952 .0036 |
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AlM 0 0 0 .048 .0036 |
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FeT .94682 1/4 .93280 .844 .0032 |
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AlT .94682 1/4 .93280 .156 .0032 |
|
O1 .2610 .98458 .2386 .0063 |
|
O2 .0232 .1416 .0719 .0087 |
|
O3 .6007 1/4 .8720 .0070 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
Redhammer G J, Tippelt G, Roth G, Amthauer G |
| |
American Mineralogist 89 (2004) 405-420 |
|
Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: |
|
Single-crystal X-ray diffraction at 25 deg C and high temperature |
|
X-ray powder diffraction (25 C <= T <= 1000 C) |
|
Sample: bht025_2 |
|
5.4071 14.6949 5.5941 90 90 90 Pnma |
|
atom x y z occ Uiso |
|
Ca .4832 .10819 .02402 .0074 |
|
FeM 0 0 0 .964 .0050 |
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AlM 0 0 0 .036 .0050 |
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FeT .9472 1/4 .9325 .760 .0031 |
|
AlT .9472 1/4 .9325 .240 .0031 |
|
O1 .2604 .9847 .2394 .0062 |
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O2 .0223 .1415 .0719 .0092 |
|
O3 .6026 1/4 .8711 .0072 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
Redhammer G J, Tippelt G, Roth G, Amthauer G |
| |
American Mineralogist 89 (2004) 405-420 |
|
Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: |
|
Single-crystal X-ray diffraction at 25 deg C and high temperature |
|
X-ray powder diffraction (25 C <= T <= 1000 C) |
|
Sample: bht030_3 |
|
5.4027 14.6779 5.5923 90 90 90 Pnma |
|
atom x y z occ Uiso |
|
Ca .48378 .10821 .02456 .0089 |
|
FeM 0 0 0 .932 .0060 |
|
AlM 0 0 0 .068 .0060 |
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FeT .94757 1/4 .93200 .703 .0046 |
|
AlT .94757 1/4 .93200 .297 .0046 |
|
O1 .2596 .9849 .2404 .0084 |
|
O2 .0227 .1419 .0719 .0109 |
|
O3 .6034 1/4 .8698 .0099 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
Redhammer G J, Tippelt G, Roth G, Amthauer G |
| |
American Mineralogist 89 (2004) 405-420 |
|
Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: |
|
Single-crystal X-ray diffraction at 25 deg C and high temperature |
|
X-ray powder diffraction (25 C <= T <= 1000 C) |
|
Sample: bht035_1 |
|
5.3986 14.6631 5.5910 90 90 90 Pnma |
|
atom x y z occ Uiso |
|
Ca .48454 .10834 .02498 .0079 |
|
FeM 0 0 0 .906 .0048 |
|
AlM 0 0 0 .094 .0048 |
|
FeT .94803 1/4 .93142 .686 .0041 |
|
AlT .94803 1/4 .93142 .314 .0041 |
|
O1 .2589 .98498 .2412 .0077 |
|
O2 .0220 .14226 .0713 .0101 |
|
O3 .6045 1/4 .8687 .0088 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
Redhammer G J, Tippelt G, Roth G, Amthauer G |
| |
American Mineralogist 89 (2004) 405-420 |
|
Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: |
|
Single-crystal X-ray diffraction at 25 deg C and high temperature |
|
X-ray powder diffraction (25 C <= T <= 1000 C) |
|
Sample: bht040_2 |
|
5.3936 14.6476 5.5899 90 90 90 Pnma |
|
atom x y z occ Uiso |
|
Ca .48477 .10835 .02493 .0077 |
|
FeM 0 0 0 .920 .0048 |
|
AlM 0 0 0 .080 .0048 |
|
FeT .94805 1/4 .93132 .639 .0038 |
|
AlT .94805 1/4 .93132 .361 .0038 |
|
O1 .2589 .98509 .2411 .0078 |
|
O2 .0215 .1422 .0713 .0101 |
|
O3 .6052 1/4 .8686 .0087 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
Redhammer G J, Tippelt G, Roth G, Amthauer G |
| |
American Mineralogist 89 (2004) 405-420 |
|
Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: |
|
Single-crystal X-ray diffraction at 25 deg C and high temperature |
|
X-ray powder diffraction (25 C <= T <= 1000 C) |
|
Sample: bf80i_2 |
|
5.3876 14.6302 5.5877 90 90 90 Pnma |
|
atom x y z occ Uiso |
|
Ca .48559 .10864 .02569 .0081 |
|
FeM 0 0 0 .880 .0048 |
|
AlM 0 0 0 .120 .0048 |
|
FeT .9490 1/4 .9308 .660 .0049 |
|
AlT .9490 1/4 .9308 .340 .0049 |
|
O1 .2579 .9852 .2423 .0080 |
|
O2 .0206 .1427 .0707 .0101 |
|
O3 .6056 1/4 .8683 .0094 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
Redhammer G J, Tippelt G, Roth G, Amthauer G |
| |
American Mineralogist 89 (2004) 405-420 |
|
Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: |
|
Single-crystal X-ray diffraction at 25 deg C and high temperature |
|
X-ray powder diffraction (25 C <= T <= 1000 C) |
|
Sample: bht55_1 |
|
5.3808 14.6131 5.5911 90 90 90 I2mb |
|
atom x y z occ Uiso |
|
Ca .49099 .10817 .02643 .0064 |
|
FeM .00101 0 0 .862 .0032 |
|
AlM .00101 0 0 .138 .0032 |
|
FeT .9526 1/4 .9299 .586 .0027 |
|
AlT .9526 1/4 .9299 .414 .0027 |
|
O1 .2500 .9858 .2532 .0061 |
|
O2 .0247 .1427 .0699 .0089 |
|
O3 .6097 1/4 .8685 .0074 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
Redhammer G J, Tippelt G, Roth G, Amthauer G |
| |
American Mineralogist 89 (2004) 405-420 |
|
Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: |
|
Single-crystal X-ray diffraction at 25 deg C and high temperature |
|
X-ray powder diffraction (25 C <= T <= 1000 C) |
|
Sample: bht50_2 |
|
5.3832 14.6214 5.5916 90 90 90 I2mb |
|
atom x y z occ Uiso |
|
Ca .4912 .10820 .02655 .0063 |
|
FeM .0011 0 0 .849 .0030 |
|
AlM .0011 0 0 .151 .0030 |
|
FeT .9523 1/4 .9300 .561 .0023 |
|
AlT .9523 1/4 .9300 .439 .0023 |
|
O1 .2494 .98593 .2531 .0060 |
|
O2 .0238 .1426 .0697 .0085 |
|
O3 .6102 1/4 .8677 .0072 |
|
|
| 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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| |
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Brownmillerite |
|
Redhammer G J, Tippelt G, Roth G, Amthauer G |
| |
American Mineralogist 89 (2004) 405-420 |
|
Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: |
|
Single-crystal X-ray diffraction at 25 deg C and high temperature |
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X-ray powder diffraction (25 C <= T <= 1000 C) |
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Sample: bht070_1 |
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5.3714 14.5805 5.5847 90 90 90 I2mb |
|
atom x y z occ Uiso |
|
Ca .4911 .1083 .0265 .0066 |
|
FeM .0006 0 0 .851 .0032 |
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AlM .0006 0 0 .149 .0032 |
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FeT .9528 1/4 .9296 .486 .0016 |
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AlT .9528 1/4 .9296 .514 .0016 |
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O1 .2501 .9860 .2530 .0064 |
|
O2 .0240 .1429 .0697 .0097 |
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O3 .6106 1/4 .8652 .0084 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
Redhammer G J, Tippelt G, Roth G, Amthauer G |
| |
American Mineralogist 89 (2004) 405-420 |
|
Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: |
|
Single-crystal X-ray diffraction at 25 deg C and high temperature |
|
X-ray powder diffraction (25 C <= T <= 1000 C) |
|
Sample: bht120_6 |
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5.3569 14.5407 5.5735 90 90 90 I2mb |
|
atom x y z occ Uiso |
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Ca .49115 .10854 .02705 .0076 |
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FeM .0006 0 0 .791 .0047 |
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AlM .0006 0 0 .209 .0047 |
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FeT .9528 1/4 .92900 .420 .0043 |
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AlT .9528 1/4 .92900 .580 .0043 |
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O1 .2494 .98611 .2530 .0074 |
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O2 .0228 .14334 .0691 .0101 |
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O3 .6135 1/4 .8640 .0083 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
Redhammer G J, Tippelt G, Roth G, Amthauer G |
| |
American Mineralogist 89 (2004) 405-420 |
|
Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: |
|
Single-crystal X-ray diffraction at 25 deg C and high temperature |
|
X-ray powder diffraction (25 C <= T <= 1000 C) |
|
Sample: bht095_2 |
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5.3510 14.5256 5.5685 90 90 90 I2mb |
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atom x y z occ Uiso |
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Ca .4913 .10859 .02718 .0062 |
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FeM .0005 0 0 .783 .0037 |
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AlM .0005 0 0 .217 .0037 |
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FeT .9527 1/4 .9283 .351 .0027 |
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AlT .9527 1/4 .9283 .649 .0027 |
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O1 .2494 .9864 .2529 .0062 |
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O2 .0216 .1433 .0686 .0088 |
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O3 .6146 1/4 .8633 .0070 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
Redhammer G J, Tippelt G, Roth G, Amthauer G |
| |
American Mineralogist 89 (2004) 405-420 |
|
Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: |
|
Single-crystal X-ray diffraction at 25 deg C and high temperature |
|
X-ray powder diffraction (25 C <= T <= 1000 C) |
|
Sample: bht100_2 |
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5.3469 14.5149 5.5640 90 90 90 I2mb |
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atom x y z occ Uiso |
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Ca .49141 .10855 .02702 .0069 |
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FeM .0006 0 0 .758 .0044 |
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AlM .0006 0 0 .242 .0044 |
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FeT .9524 1/4 .9283 .333 .0036 |
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AlT .9524 1/4 .9283 .667 .0036 |
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O1 .2484 .9865 .2528 .0068 |
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O2 .0215 .1435 .0686 .0093 |
|
O3 .6151 1/4 .8620 .0077 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
Redhammer G J, Tippelt G, Roth G, Amthauer G |
| |
American Mineralogist 89 (2004) 405-420 |
|
Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: |
|
Single-crystal X-ray diffraction at 25 deg C and high temperature |
|
X-ray powder diffraction (25 C <= T <= 1000 C) |
|
Sample: bht110n1 |
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5.3369 14.4945 5.5548 90 90 90 I2mb |
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atom x y z occ Uiso |
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Ca .4914 .10852 .02709 .0064 |
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FeM .0004 0 0 .733 .0036 |
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AlM .0004 0 0 .267 .0036 |
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FeT .9526 1/4 .9278 .281 .0025 |
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AlT .9526 1/4 .9278 .719 .0025 |
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O1 .2486 .9864 .2519 .0061 |
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O2 .0203 .1440 .0674 .0095 |
|
O3 .6172 1/4 .8608 .0063 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
Redhammer G J, Tippelt G, Roth G, Amthauer G |
| |
American Mineralogist 89 (2004) 405-420 |
|
Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: |
|
Single-crystal X-ray diffraction at 25 deg C and high temperature |
|
X-ray powder diffraction (25 C <= T <= 1000 C) |
|
Sample: bht120n2 |
|
5.3269 14.4687 5.5433 90 90 90 I2mb |
|
atom x y z occ Uiso |
|
Ca .4914 .10871 .0271 .0073 |
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FeM .0004 0 0 .684 .0044 |
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AlM .0004 0 0 .316 .0044 |
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FeT .9526 1/4 .9275 .238 .0030 |
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AlT .9526 1/4 .9275 .762 .0030 |
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O1 .2481 .9868 .2535 .0072 |
|
O2 .0200 .1437 .0666 .0101 |
|
O3 .6168 1/4 .8610 .0082 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
Redhammer G J, Tippelt G, Roth G, Amthauer G |
| |
American Mineralogist 89 (2004) 405-420 |
|
Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: |
|
Single-crystal X-ray diffraction at 25 deg C and high temperature |
|
X-ray powder diffraction (25 C <= T <= 1000 C) |
|
Sample: bht130_2 |
|
5.3093 14.4534 5.5230 90 90 90 I2mb |
|
atom x y z occ Uiso |
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Ca .4917 .10850 .02695 .0074 |
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FeM -.0003 0 0 .594 .0049 |
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AlM -.0003 0 0 .406 .0049 |
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FeT .9527 1/4 .9270 .147 .0031 |
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AlT .9527 1/4 .9270 .853 .0031 |
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O1 .2485 .9871 .2536 .0073 |
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O2 .0196 .1438 .0662 .0110 |
|
O3 .6184 1/4 .8586 .0070 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
Redhammer G J, Tippelt G, Roth G, Amthauer G |
| |
American Mineralogist 89 (2004) 405-420 |
|
Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: |
|
Single-crystal X-ray diffraction at 25 deg C and high temperature |
|
X-ray powder diffraction (25 C <= T <= 1000 C) |
|
Sample: bht140_2 |
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5.2991 14.4434 5.5099 90 90 90 I2mb |
|
atom x y z occ Uiso |
|
Ca .4919 .10859 .0266 .0091 |
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FeM -.0004 0 0 .541 .0071 |
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AlM -.0004 0 0 .459 .0071 |
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FeT .9527 1/4 .9264 .113 .0054 |
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AlT .9527 1/4 .9264 .887 .0054 |
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O1 .2481 .9875 .2522 .0090 |
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O2 .0185 .1438 .0648 .0118 |
|
O3 .6183 1/4 .8593 .0093 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Hd21, T = 298 K |
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9.8450 9.0293 5.2450 90 104.775 90 C2/c |
|
atom x y z Uiso |
|
Ca2 0 .3003 .25 .0072 |
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Fe1 0 .9075 .25 .0046 |
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Si .2878 .0924 .2325 .0036 |
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O1 .1196 .0901 .1523 .0055 |
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O2 .3628 .2464 .3232 .0075 |
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O3 .3501 .0197 .9926 .0061 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Hd21, T = 200 K |
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9.8395 9.0177 5.2425 90 104.724 90 C2/c |
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atom x y z Uiso |
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Ca2 0 .3008 .25 .0054 |
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Fe1 0 .9079 .25 .0035 |
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Si .2878 .0927 .2322 .0028 |
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O1 .1194 .0907 .1528 .0051 |
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O2 .3629 .2465 .3237 .0062 |
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O3 .3503 .0202 -.0078 .0051 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Hd21, T = 100K |
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9.8357 9.0078 5.2408 90 104.664 90 C2/c |
|
atom x y z Uiso |
|
Ca2 0 .3012 .25 .0036 |
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Fe1 0 .9082 .25 .0025 |
|
Si .2879 .0928 .2321 .0022 |
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O1 .1195 .0909 .1523 .0038 |
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O2 .3631 .2467 .3241 .0047 |
|
O3 .3504 .0206 .9912 .0037 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Ae051, T = 298 K |
|
9.8354 9.0108 5.2560 90 105.088 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .3003 .25 .949 .0100 |
|
Na2 0 .3003 .25 .051 .0100 |
|
Fe2+1 0 .9069 .25 .949 .0067 |
|
Fe3+1 0 .9069 .25 .051 .0067 |
|
Si .2879 .0923 .2326 .0044 |
|
O1 .1189 .0893 .1502 .0077 |
|
O2 .3624 .2473 .3226 .0098 |
|
O3 .3502 .0190 .9946 .0082 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Hd102m, T = 298 K |
|
9.8248 8.9973 5.2549 90 105.013 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .3006 .25 .904 .0086 |
|
Na2 0 .3006 .25 .096 .0086 |
|
Fe2+1 0 .9064 .25 .904 .0054 |
|
Fe3+1 0 .9064 .25 .096 .0054 |
|
Si .2878 .0922 .2328 .0040 |
|
O1 .1189 .0888 .1503 .0076 |
|
O2 .3619 .2476 .3214 .0088 |
|
O3 .3505 .0183 .9954 .0075 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Ae151, T = 298 K |
|
9.8067 8.9852 5.2886 90 105.356 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .3016 .25 .850 .0101 |
|
Na2 0 .3016 .25 .150 .0101 |
|
Fe2+1 0 .9055 .25 .850 .0067 |
|
Fe3+1 0 .9055 .25 .150 .0067 |
|
Si .2880 .0923 .2323 .0039 |
|
O1 .1179 .0873 .1477 .0089 |
|
O2 .3614 .2493 .3201 .0107 |
|
O3 .3506 .0172 .9963 .0093 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Ae201, T = 298 K |
|
9.7929 8.9656 5.2696 90 105.496 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .3011 .25 .758 .0114 |
|
Na2 0 .3011 .25 .242 .0114 |
|
Fe2+1 0 .9049 .25 .758 .0073 |
|
Fe3+1 0 .9049 .25 .242 .0073 |
|
Si .2881 .0920 .2327 .0049 |
|
O1 .1172 .0865 .1476 .0105 |
|
O2 .3612 .2498 .3184 .0117 |
|
O3 .3508 .0167 .9987 .0099 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Ae251, T = 298 K |
|
9.7938 8.9685 5.2632 90 105.520 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .3013 .25 .742 .0093 |
|
Na2 0 .3013 .25 .258 .0093 |
|
Fe2+1 0 .9049 .25 .742 .0054 |
|
Fe3+1 0 .9049 .25 .258 .0054 |
|
Si .2881 .0918 .2328 .0031 |
|
O1 .1174 .0865 .1476 .0078 |
|
O2 .3608 .2496 .3177 .0090 |
|
O3 .3505 .0165 .9987 .0078 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Ae401, T = 298 K |
|
9.7560 8.9252 5.2739 90 106.031 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .3007 .25 .615 .0103 |
|
Na2 0 .3007 .25 .385 .0103 |
|
Fe2+1 0 .9037 .25 .615 .0056 |
|
Fe3+1 0 .9037 .25 .385 .0056 |
|
Si .2885 .0914 .2335 .0035 |
|
O1 .1166 .0845 .1459 .0081 |
|
O2 .3603 .2507 .3151 .0094 |
|
O3 .3510 .0153 .0012 .0074 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Ae451, T = 298 K |
|
9.7428 8.9091 5.2750 90 106.126 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .3013 .25 .55 .0106 |
|
Na2 0 .3013 .25 .45 .0106 |
|
Fe2+1 0 .9028 .25 .55 .0064 |
|
Fe3+1 0 .9028 .25 .45 .0064 |
|
Si .2887 .0915 .2335 .0040 |
|
O1 .1162 .0832 .1437 .0103 |
|
O2 .3594 .2513 .3112 .0102 |
|
O3 .3508 .0133 .0031 .0081 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Ae503 |
|
9.7412 8.9086 5.2776 90 106.221 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .3007 .25 .506 .0121 |
|
Na2 0 .3007 .25 .494 .0121 |
|
Fe2+1 0 .9025 .25 .506 .0061 |
|
Fe3+1 0 .9025 .25 .494 .0061 |
|
Si .2887 .0910 .2336 .0043 |
|
O1 .1163 .0829 .1444 .0088 |
|
O2 .3595 .2518 .3126 .0096 |
|
O3 .3511 .0138 .0036 .0086 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Aegirine |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Ae504 |
|
9.7412 8.9086 5.2776 90 106.221 90 C2/c |
|
atom x y z occ Uiso |
|
Na2 0 .3010 .25 .512 .0088 |
|
Ca2 0 .3010 .25 .488 .0088 |
|
Fe3+1 0 .9024 .25 .512 .0039 |
|
Fe2+1 0 .9024 .25 .488 .0039 |
|
Si .2888 .0906 .2337 .0024 |
|
O1 .1163 .0832 .1439 .0069 |
|
O2 .3595 .2514 .3133 .0068 |
|
O3 .3511 .0137 .0024 .0059 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
|
Sample: Ae504, T = 200 K |
|
9.7361 8.9020 5.2733 90 106.099 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .3011 .25 .503 .0074 |
|
Na2 0 .3011 .25 .497 .0074 |
|
Fe2+1 0 .9028 .25 .503 .0038 |
|
Fe3+1 0 .9028 .25 .497 .0038 |
|
Si .2888 .0911 .2338 .0024 |
|
O1 .1158 .0831 .1441 .0068 |
|
O2 .3597 .2522 .3133 .0072 |
|
O3 .3511 .0144 .0033 .0061 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
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Sample: Ae504, T = 90 K |
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9.7266 8.8959 5.2691 90 106.067 90 C2/c |
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atom x y z occ Uiso |
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Ca2 0 .3013 .25 .501 .0055 |
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Na2 0 .3013 .25 .499 .0055 |
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Fe2+1 0 .9031 .25 .501 .0030 |
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Fe3+1 0 .9031 .25 .499 .0030 |
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Si .2889 .0912 .2340 .0020 |
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O1 .1158 .0836 .1445 .0058 |
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O2 .3598 .2525 .3139 .0057 |
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O3 .3512 .0147 .0026 .0045 |
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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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Aegirine |
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Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
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American Mineralogist 91 (2006) 1271-1292 |
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Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
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spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
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Locality: synthetic |
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Sample: Ae551, T = 298 K |
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10 9 5 90 106 90 C2/c |
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atom x y z occ Uiso |
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Na2 0 .3010 .25 .55 .0112 |
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Ca2 0 .3010 .25 .45 .0112 |
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Fe3+1 0 .9023 .25 .55 .0047 |
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Fe2+1 0 .9023 .25 .45 .0047 |
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Si .2891 .0912 .2343 .0027 |
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O1 .1169 .0832 .1447 .0066 |
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O2 .3577 .2535 .3096 .0083 |
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O3 .3519 .0144 .0050 .0070 |
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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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| |
|
Aegirine |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
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Locality: synthetic |
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Sample: Ae601, T = 298 K |
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9.7176 8.8792 5.2828 90 106.530 90 C2/c |
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atom x y z occ Uiso |
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Na2 0 .3011 .25 .604 .0122 |
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Ca2 0 .3011 .25 .396 .0122 |
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Fe3+1 0 .9016 .25 .604 .0064 |
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Fe2+1 0 .9016 .25 .396 .0064 |
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Si .2892 .0908 .2335 .0042 |
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O1 .1154 .0815 .1420 .0087 |
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O2 .3592 .2531 .3093 .0107 |
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O3 .3513 .0126 .0050 .0089 |
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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
|
| |
|
Aegirine |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
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Locality: synthetic |
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Sample: Ae701, T = 298 K |
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9.6993 8.8579 5.2813 90 106.637 90 C2/c |
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atom x y z occ Uiso |
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Na2 0 .3009 .25 .711 .0108 |
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Ca2 0 .3009 .25 .289 .0108 |
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Fe3+1 0 .9012 .25 .711 .0040 |
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Fe2+1 0 .9012 .25 .289 .0040 |
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Si .2894 .0904 .2340 .0029 |
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O1 .1152 .0818 .1413 .0056 |
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O2 .3586 .2532 .3078 .0076 |
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O3 .3514 .0118 .0074 .0055 |
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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
|
| |
|
Aegirine |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
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Locality: synthetic |
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Sample: Ae751, T = 298 K |
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9.6953 8.8491 5.2856 90 106.778 90 C2/c |
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atom x y z occ Uiso |
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Na2 0 .3005 .25 .751 .0104 |
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Ca2 0 .3005 .25 .249 .0104 |
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Fe3+1 0 .9006 .25 .751 .0053 |
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Fe2+1 0 .9006 .25 .249 .0053 |
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Si .2897 .0905 .2336 .0018 |
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O1 .1147 .0804 .1400 .0047 |
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O2 .3590 .2544 .3063 .0072 |
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O3 .3514 .0121 .0074 .0056 |
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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
|
| |
|
Aegirine |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
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Locality: synthetic |
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Sample: Ae801 |
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9.6804 8.8337 5.2831 90 106.877 90 C2/c |
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atom x y z occ Uiso |
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Na2 0 .3004 .25 .825 .0131 |
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Ca2 0 .3004 .25 .175 .0131 |
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Fe3+1 0 .9003 .25 .825 .0055 |
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Fe2+1 0 .9003 .25 .175 .0055 |
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Si .2899 .0904 .2343 .0039 |
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O1 .1148 .0797 .1402 .0058 |
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O2 .3587 .2544 .3050 .0086 |
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O3 .3508 .0105 .0084 .0072 |
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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
|
| |
|
Aegirine |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
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Locality: synthetic |
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Sample: Ae851 |
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9.6654 8.8184 5.2805 90 106.976 90 C2/c |
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atom x y z occ Uiso |
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Na2 0 .3001 .25 .851 .0127 |
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Ca2 0 .3001 .25 .149 .0127 |
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Fe3+1 0 .8997 .25 .851 .0046 |
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Fe2+1 0 .8997 .25 .149 .0046 |
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Si .2900 .0899 .2346 .0036 |
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O1 .1147 .0794 .1392 .0059 |
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O2 .3587 .2548 .3038 .0090 |
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O3 .3518 .0099 .0088 .0071 |
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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
|
| |
|
Aegirine |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
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Sample: Ae901, T = 298 K |
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9.6666 8.8099 5.2916 90 107.195 90 C2/c |
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atom x y z occ Uiso |
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Na2 0 .3003 .25 .898 .0117 |
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Ca2 0 .3003 .25 .102 .0117 |
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Fe3+1 0 .8994 .25 .898 .0022 |
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Fe2+1 0 .8994 .25 .102 .0022 |
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Si .2903 .0895 .2346 .0013 |
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O1 .1147 .0787 .1387 .0041 |
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O2 .3584 .2555 .3015 .0053 |
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O3 .3519 .0087 .0095 .0044 |
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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
|
| |
|
Aegirine |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
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Locality: synthetic |
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Sample: Ae951, T = 298 K |
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9.6554 8.7998 5.2900 90 107.304 90 C2/c |
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atom x y z occ Uiso |
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Na2 0 .2994 .25 .951 .0134 |
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Ca2 0 .2994 .25 .049 .0134 |
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Fe3+1 0 .8992 .25 .951 .0034 |
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Fe2+1 0 .8992 .25 .049 .0034 |
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Si .2905 .0896 .2352 .0027 |
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O1 .1144 .0786 .1381 .0044 |
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O2 .3586 .2555 .3019 .0077 |
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O3 .3520 .0088 .0111 .0056 |
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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
|
| |
|
Aegirine |
|
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W |
| |
American Mineralogist 91 (2006) 1271-1292 |
|
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer |
|
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution |
|
Locality: synthetic |
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Sample: nahp22, T = 298 K |
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9.6554 8.7952 5.2942 90 107.396 90 C2/c |
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atom x y z Uiso |
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