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Tainiolite |
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Toraya H, Iwai S, Marumo F, Hirao M |
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Zeitschrift fur Kristallographie 146 (1977) 73-83 |
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The crystal structure of taeniolite, KLiMg2Si4O10F2 |
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Note: this is the 1M polytype |
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Locality: synthetic |
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_database_code_amcsd 0010797 |
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5.231 9.065 10.140 90 99.86 90 C2/m |
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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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K 0 .5 0 .967 .0179 .00573 .00452 0 .00160 0 |
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Mg1 0 0 .5 .708 .0063 .00169 .00157 0 .00098 0 |
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Li1 0 0 .5 .292 .0063 .00169 .00157 0 .00098 0 |
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Mg2 0 .33442 .5 .663 .0056 .00187 .00155 0 .00045 0 |
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Li2 0 .33442 .5 .337 .0056 .00187 .00155 0 .00045 0 |
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Si .07573 .16666 .22829 .0041 .00131 .00112 .00000 .00047 -.00001 |
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O1 .0494 0 .1650 .0115 .00144 .00169 0 .00047 0 |
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O2 .3075 .2473 .1650 .0066 .00305 .00161 -.00183 .00070 -.00009 |
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O3 .1284 .1668 .3871 .0064 .00196 .00116 -.00009 .00050 .00000 |
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F .6333 0 .3967 .0090 .00287 .00226 0 .00092 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Ni O3 Pr |
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Huang T, Parrish W, Toraya H, Lacorre P, Torrance J |
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Materials Research Bulletin 25 (1990) 1091-1098 |
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High temperature crystal structures of orthorhombic and rhombohedral |
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PrNiO3 |
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_cod_database_code 1000290 |
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_database_code_amcsd 0014348 |
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5.4146 5.3757 7.6199 90 90 90 Pbnm |
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atom x y z |
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Pr1 .9957 .0291 .25 |
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Ni1 .5 0 0 |
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O1 .0680 .4926 .25 |
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O2 .7175 .2844 .0351 |
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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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Ni O3 Pr |
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Huang T, Parrish W, Toraya H, Lacorre P, Torrance J |
| |
Materials Research Bulletin 25 (1990) 1091-1098 |
|
High temperature crystal structures of orthorhombic and rhombohedral |
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PrNiO3 |
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_cod_database_code 1000291 |
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_database_code_amcsd 0014349 |
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5.4294 5.3849 7.6362 90 90 90 Pbnm |
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atom x y z |
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Pr1 .9957 .0261 .25 |
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Ni1 .5 0 0 |
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O1 .0581 .4964 .25 |
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O2 .7198 .2792 .0397 |
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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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Ni O3 Pr |
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Huang T, Parrish W, Toraya H, Lacorre P, Torrance J |
| |
Materials Research Bulletin 25 (1990) 1091-1098 |
|
High temperature crystal structures of orthorhombic and rhombohedral |
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PrNiO3 |
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_cod_database_code 1000292 |
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_database_code_amcsd 0014350 |
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5.4456 5.3952 7.6520 90 90 90 Pbnm |
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atom x y z |
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Pr1 .9964 .0228 .25 |
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Ni1 .5 0 0 |
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O1 .0502 .4923 .25 |
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O2 .7175 .2742 .0409 |
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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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Ni O3 Pr |
| |
Huang T, Parrish W, Toraya H, Lacorre P, Torrance J |
| |
Materials Research Bulletin 25 (1990) 1091-1098 |
|
High temperature crystal structures of orthorhombic and rhombohedral |
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PrNiO3 |
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_cod_database_code 1000293 |
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_database_code_amcsd 0014351 |
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5.4577 5.4577 13.1058 90 90 120 R-3c |
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atom x y z |
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Pr1 0 0 .25 |
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Ni1 0 0 0 |
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O1 .4446 0 .25 |
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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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Ni O3 Pr |
| |
Huang T, Parrish W, Toraya H, Lacorre P, Torrance J |
| |
Materials Research Bulletin 25 (1990) 1091-1098 |
|
High temperature crystal structures of orthorhombic and rhombohedral |
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PrNiO3 |
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_cod_database_code 1000294 |
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_database_code_amcsd 0014352 |
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5.4614 5.4614 13.1319 90 90 120 R-3c |
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atom x y z |
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Pr1 0 0 .25 |
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Ni1 0 0 0 |
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O1 .4442 0 .25 |
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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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