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Tetraferriannite |
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Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M |
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American Mineralogist 84 (1999) 325-332 |
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"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a |
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potential nuclear waste disposal phase |
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T = 23 deg C, P = .001 kbar, crystal 1 |
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_database_code_amcsd 0002208 |
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5.486 9.506 10.818 90 99.67 90 C2/m |
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atom x y z occ Uiso |
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Cs 0 .5 0 .89 .0221 |
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Fe1 0 0 .5 .0110 |
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Fe2 0 .3323 .5 .0099 |
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Si .0797 .1666 .2384 .76 .0111 |
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Fe .0797 .1666 .2384 .23 .0111 |
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Al .0797 .1666 .2384 .01 .0111 |
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O1 .0588 0 .1836 .029 |
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O2 .3117 .2496 .1824 .029 |
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O3 .1325 .1664 .3958 .0123 |
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O4 .1322 .5 .4018 .012 |
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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 (permalink) |
| |
|
Tetraferriannite |
| |
Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M |
|
American Mineralogist 84 (1999) 325-332 |
|
"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a |
|
potential nuclear waste disposal phase |
|
T = 23 deg C, P = 39.4 kbar, crystal 1 |
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_database_code_amcsd 0002209 |
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5.444 9.439 10.185 90 100.2 90 C2/m |
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atom x y z occ Uiso |
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Cs 0 .5 0 .89 .0165 |
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Fe1 0 0 .5 .010 |
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Fe2 0 .3327 .5 .0099 |
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Si .0753 .1666 .2252 .76 .0121 |
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Fe .0753 .1666 .2252 .23 .0121 |
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Al .0753 .1666 .2252 .01 .0121 |
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O1 .061 0 .173 .034 |
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O2 .306 .249 .169 .030 |
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O3 .131 .167 .394 .015 |
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O4 .131 .5 .392 .010 |
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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 (permalink) |
| |
|
Tetraferriannite |
| |
Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M |
|
American Mineralogist 84 (1999) 325-332 |
|
"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a |
|
potential nuclear waste disposal phase |
|
T = 23 deg C, crystal 2 |
|
_database_code_amcsd 0002210 |
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5.480 9.498 10.820 90 99.76 90 C2/m |
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atom x y z occ Uiso |
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Cs 0 .5 0 .89 .0209 |
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Fe1 0 0 .5 .0088 |
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Fe2 0 .33192 .5 .0090 |
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Si .0796 .16662 .23820 .76 .0099 |
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Fe .0796 .16662 .23820 .23 .0099 |
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Al .0796 .16662 .23820 .01 .0099 |
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O1 .0610 0 .1838 .0272 |
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O2 .3119 .2501 .1844 .0287 |
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O3 .1326 .1662 .3962 .0118 |
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O4 .1325 .5 .4015 .0115 |
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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 (permalink) |
| |
|
Tetraferriannite |
| |
Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M |
|
American Mineralogist 84 (1999) 325-332 |
|
"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a |
|
potential nuclear waste disposal phase |
|
T = 296 deg C, crystal 2 |
|
_database_code_amcsd 0002211 |
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5.480 9.500 10.907 90 99.60 90 C2/m |
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atom x y z occ Uiso |
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Cs 0 .5 0 .89 .0410 |
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Fe1 0 0 .5 .0195 |
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Fe2 0 .3319 .5 .0202 |
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Si .0793 .1662 .2393 .76 .0184 |
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Fe .0793 .1662 .2393 .23 .0184 |
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Al .0793 .1662 .2393 .01 .0184 |
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O1 .0615 0 .1849 .042 |
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O2 .3146 .2503 .1864 .041 |
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O3 .1325 .1667 .3965 .021 |
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O4 .1325 .5 .4008 .025 |
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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 (permalink) |
| |
|
Tetraferriannite |
| |
Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M |
|
American Mineralogist 84 (1999) 325-332 |
|
"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a |
|
potential nuclear waste disposal phase |
|
T = 435 deg C, crystal 2 |
|
_database_code_amcsd 0002212 |
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5.476 9.502 10.954 90 99.54 90 C2/m |
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atom x y z occ Uiso |
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Cs 0 .5 0 .89 .0495 |
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Fe1 0 0 .5 .0251 |
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Fe2 0 .3326 .5 .0249 |
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Si .0793 .1667 .2398 .76 .0229 |
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Fe .0793 .1667 .2398 .23 .0229 |
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Al .0793 .1667 .2398 .01 .0229 |
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O1 .0633 0 .1870 .052 |
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O2 .3128 .2512 .1865 .047 |
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O3 .1303 .1672 .3961 .024 |
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O4 .1348 .5 .4016 .030 |
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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 (permalink) |
| |
|
Tetraferriannite |
| |
Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M |
|
American Mineralogist 84 (1999) 325-332 |
|
"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a |
|
potential nuclear waste disposal phase |
|
T = 23 deg C after heating, crystal 2 |
|
_database_code_amcsd 0002213 |
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5.452 9.448 10.786 90 99.77 90 C2/m |
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atom x y z occ Uiso |
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Cs 0 .5 0 .89 .0243 |
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Fe1 0 0 .5 .0148 |
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Fe2 0 .3393 .5 .0151 |
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Si .0797 .1677 .2367 .76 .0142 |
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Fe .0797 .1677 .2367 .23 .0142 |
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Al .0797 .1677 .2367 .01 .0142 |
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O1 .0588 0 .1843 .032 |
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O2 .3130 .2483 .1812 .0324 |
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O3 .1337 .1719 .3961 .0161 |
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O4 .1373 .5 .4059 .0166 |
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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 (permalink) |
| |
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