American Mineralogist Crystal Structure Database

6 matching records for this search.

Tetra-ferri-annite
 
Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
Download am/vol84/AM84_325.pdf
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 = .001 kbar, crystal 1
_database_code_amcsd 0002202
5.486 9.506 10.818 90 99.67 90 C2/m
atom     x     y     z occ Uiso
Cs       0    .5     0 .89 .0221
Fe1      0     0    .5     .0110
Fe2      0 .3323    .5     .0099
Si   .0797 .1666 .2384 .76 .0111
Fe   .0797 .1666 .2384 .23 .0111
Al   .0797 .1666 .2384 .01 .0111
O1   .0588     0 .1836      .029
O2   .3117 .2496 .1824      .029
O3   .1325 .1664 .3958     .0123
O4   .1322    .5 .4018      .012
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tetra-ferri-annite
 
Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
Download am/vol84/AM84_325.pdf
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
_database_code_amcsd 0002203
5.444 9.439 10.185 90 100.2 90 C2/m
atom     x     y     z occ Uiso
Cs       0    .5     0 .89 .0165
Fe1      0     0    .5      .010
Fe2      0 .3327    .5     .0099
Si   .0753 .1666 .2252 .76 .0121
Fe   .0753 .1666 .2252 .23 .0121
Al   .0753 .1666 .2252 .01 .0121
O1    .061     0  .173      .034
O2    .306  .249  .169      .030
O3    .131  .167  .394      .015
O4    .131    .5  .392      .010
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tetra-ferri-annite
 
Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
Download am/vol84/AM84_325.pdf
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 0002204
5.480 9.498 10.820 90 99.76 90 C2/m
atom     x      y      z occ  Uiso
Cs       0     .5      0 .89 .0209
Fe1      0      0     .5     .0088
Fe2      0 .33192     .5     .0090
Si   .0796 .16662 .23820 .76 .0099
Fe   .0796 .16662 .23820 .23 .0099
Al   .0796 .16662 .23820 .01 .0099
O1   .0610      0  .1838     .0272
O2   .3119  .2501  .1844     .0287
O3   .1326  .1662  .3962     .0118
O4   .1325     .5  .4015     .0115
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tetra-ferri-annite
 
Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
Download am/vol84/AM84_325.pdf
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 0002205
5.480 9.500 10.907 90 99.60 90 C2/m
atom     x     y     z occ  Uiso
Cs       0    .5     0 .89 .0410
Fe1      0     0    .5     .0195
Fe2      0 .3319    .5     .0202
Si   .0793 .1662 .2393 .76 .0184
Fe   .0793 .1662 .2393 .23 .0184
Al   .0793 .1662 .2393 .01 .0184
O1   .0615     0 .1849      .042
O2   .3146 .2503 .1864      .041
O3   .1325 .1667 .3965      .021
O4   .1325    .5 .4008      .025
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tetra-ferri-annite
 
Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
Download am/vol84/AM84_325.pdf
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 0002206
5.476 9.502 10.954 90 99.54 90 C2/m
atom     x     y     z occ  Uiso
Cs       0    .5     0 .89 .0495
Fe1      0     0    .5     .0251
Fe2      0 .3326    .5     .0249
Si   .0793 .1667 .2398 .76 .0229
Fe   .0793 .1667 .2398 .23 .0229
Al   .0793 .1667 .2398 .01 .0229
O1   .0633     0 .1870      .052
O2   .3128 .2512 .1865      .047
O3   .1303 .1672 .3961      .024
O4   .1348    .5 .4016      .030
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tetra-ferri-annite
 
Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
Download am/vol84/AM84_325.pdf
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 0002207
5.452 9.448 10.786 90 99.77 90 C2/m
atom     x     y     z occ  Uiso
Cs       0    .5     0 .89 .0243
Fe1      0     0    .5     .0148
Fe2      0 .3393    .5     .0151
Si   .0797 .1677 .2367 .76 .0142
Fe   .0797 .1677 .2367 .23 .0142
Al   .0797 .1677 .2367 .01 .0142
O1   .0588     0 .1843      .032
O2   .3130 .2483 .1812     .0324
O3   .1337 .1719 .3961     .0161
O4   .1373    .5 .4059     .0166
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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Total number of retrieved datasets: 6
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